4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide

C50H75F3N24O13S6 — CID 159328010

IUPAC4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
SMILESCC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](N)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.N[C@@H]1CCN(c2ccc(S(=O)(=O)NC3CCCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)C[C@@H]1F.N[C@H]1CCN(c2ccc(S(=O)(=O)NC3CCCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)C[C@H]1F
InChIInChI=1S/2C17H25FN8O4S2.C16H25FN8O5S2/c2*18-11-9-26(8-7-12(11)19)13-5-6-14(32(29,30)23-10-3-1-2-4-10)16(31(20,27)28)15(13)17-21-24-25-22-17;1-2-9(26)7-20-32(29,30)13-4-3-12(25-6-5-11(18)10(17)8-25)14(15(13)31(19,27)28)16-21-23-24-22-16/h2*5-6,10-12,23H,1-4,7-9,19H2,(H2,20,27,28)(H,21,22,24,25);3-4,9-11,20,26H,2,5-8,18H2,1H3,(H2,19,27,28)(H,21,22,23,24)/t2*11-,12+;9-,10-,11+/m101/s1
InChIKeyLEPPORDXYKDRER-LURZIPDLSA-N
MW1469.70 g/mol
LogP-2.34
Rot. Bonds20

About 4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide

4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide (PubChem CID 159328010) has the molecular formula C50H75F3N24O13S6 and a molecular weight of 1469.70 g/mol. Its IUPAC name is 4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide.

Molecular Properties

Compound Name4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
PubChem CID159328010
Molecular FormulaC50H75F3N24O13S6
Molecular Weight1469.70 g/mol
Exact Mass1468.42
IUPAC Name4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
SMILESCC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](N)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.N[C@@H]1CCN(c2ccc(S(=O)(=O)NC3CCCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)C[C@@H]1F.N[C@H]1CCN(c2ccc(S(=O)(=O)NC3CCCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)C[C@H]1F
InChIInChI=1S/2C17H25FN8O4S2.C16H25FN8O5S2/c2*18-11-9-26(8-7-12(11)19)13-5-6-14(32(29,30)23-10-3-1-2-4-10)16(31(20,27)28)15(13)17-21-24-25-22-17;1-2-9(26)7-20-32(29,30)13-4-3-12(25-6-5-11(18)10(17)8-25)14(15(13)31(19,27)28)16-21-23-24-22-16/h2*5-6,10-12,23H,1-4,7-9,19H2,(H2,20,27,28)(H,21,22,24,25);3-4,9-11,20,26H,2,5-8,18H2,1H3,(H2,19,27,28)(H,21,22,23,24)/t2*11-,12+;9-,10-,11+/m101/s1
InChIKeyLEPPORDXYKDRER-LURZIPDLSA-N
XLogP-2.34
TPSA590.38 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.70
LogP ≤ 5-2.34
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Analyze 4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The IUPAC name of 4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide (CID 159328010) is 4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide.
What is the SMILES notation for 4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The canonical SMILES for 4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide is CC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](N)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.N[C@@H]1CCN(c2ccc(S(=O)(=O)NC3CCCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)C[C@@H]1F.N[C@H]1CCN(c2ccc(S(=O)(=O)NC3CCCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)C[C@H]1F.
What is the InChIKey of 4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The InChIKey is LEPPORDXYKDRER-LURZIPDLSA-N. The full InChI is InChI=1S/2C17H25FN8O4S2.C16H25FN8O5S2/c2*18-11-9-26(8-7-12(11)19)13-5-6-14(32(29,30)23-10-3-1-2-4-10)16(31(20,27)28)15(13)17-21-24-25-22-17;1-2-9(26)7-20-32(29,30)13-4-3-12(25-6-5-11(18)10(17)8-25)14(15(13)31(19,27)28)16-21-23-24-22-16/h2*5-6,10-12,23H,1-4,7-9,19H2,(H2,20,27,28)(H,21,22,24,25);3-4,9-11,20,26H,2,5-8,18H2,1H3,(H2,19,27,28)(H,21,22,23,24)/t2*11-,12+;9-,10-,11+/m101/s1.
What are the key properties of 4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide has a molecular weight of 1469.70 g/mol, XLogP of -2.34, 20 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-cyclopentyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide is sourced from PubChem (CID 159328010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).