1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide

C17H34FN5O2S — CID 123425452

IUPAC1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)C2CCN(C3C(N)CNCC3F)CC2)CC1
InChIInChI=1S/C17H34FN5O2S/c1-21-7-3-13(4-8-21)22(2)26(24,25)14-5-9-23(10-6-14)17-15(18)11-20-12-16(17)19/h13-17,20H,3-12,19H2,1-2H3
InChIKeyLCTFKFLGAVPTKH-UHFFFAOYSA-N
MW391.56 g/mol
LogP-0.56
Rot. Bonds4

About 1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide

1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide (PubChem CID 123425452) has the molecular formula C17H34FN5O2S and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
PubChem CID123425452
Molecular FormulaC17H34FN5O2S
Molecular Weight391.56 g/mol
Exact Mass391.24
IUPAC Name1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)C2CCN(C3C(N)CNCC3F)CC2)CC1
InChIInChI=1S/C17H34FN5O2S/c1-21-7-3-13(4-8-21)22(2)26(24,25)14-5-9-23(10-6-14)17-15(18)11-20-12-16(17)19/h13-17,20H,3-12,19H2,1-2H3
InChIKeyLCTFKFLGAVPTKH-UHFFFAOYSA-N
XLogP-0.56
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 123725074
4-[4-(1,4-Diazabicyclo[3.2.2]nonan-4-ylsulfonyl)piperidin-1-yl]-5-fluoropiperidin-3-amine
CID 123917644
1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
CID 129134563
1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 130280414
1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 134321932
1-(3-amino-5-fluoropiperidin-4-yl)-N-(2-iodoethyl)-N-piperidin-4-ylpiperidine-4-sulfonamide
CID 138645809
1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
CID 138645940
1-(3-amino-5-fluoro-1-pentylpiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
CID 156302508
1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine
CID 59367722
1-(1-Methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine
CID 66754979
1-[3-(4-Methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine
CID 67404676
3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 70645965

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide?
The IUPAC name of 1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide (CID 123425452) is 1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide.
What is the SMILES notation for 1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide?
The canonical SMILES for 1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide is CN1CCC(N(C)S(=O)(=O)C2CCN(C3C(N)CNCC3F)CC2)CC1.
What is the InChIKey of 1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide?
The InChIKey is LCTFKFLGAVPTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34FN5O2S/c1-21-7-3-13(4-8-21)22(2)26(24,25)14-5-9-23(10-6-14)17-15(18)11-20-12-16(17)19/h13-17,20H,3-12,19H2,1-2H3.
What are the key properties of 1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide?
1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide has a molecular weight of 391.56 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide is sourced from PubChem (CID 123425452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).