1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide

C17H32FN5O2S — CID 138645940

IUPAC1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)C2CCN(C3C(N)C=NCC3F)CC2)CC1
InChIInChI=1S/C17H32FN5O2S/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/h12-17H,3-11,19H2,1-2H3
InChIKeyNZYHJQPZBUNDBR-UHFFFAOYSA-N
MW389.54 g/mol
LogP-0.08
Rot. Bonds4

About 1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide

1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide (PubChem CID 138645940) has the molecular formula C17H32FN5O2S and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
PubChem CID138645940
Molecular FormulaC17H32FN5O2S
Molecular Weight389.54 g/mol
Exact Mass389.23
IUPAC Name1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)C2CCN(C3C(N)C=NCC3F)CC2)CC1
InChIInChI=1S/C17H32FN5O2S/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/h12-17H,3-11,19H2,1-2H3
InChIKeyNZYHJQPZBUNDBR-UHFFFAOYSA-N
XLogP-0.08
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide?
The IUPAC name of 1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide (CID 138645940) is 1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide.
What is the SMILES notation for 1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide?
The canonical SMILES for 1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide is CN1CCC(N(C)S(=O)(=O)C2CCN(C3C(N)C=NCC3F)CC2)CC1.
What is the InChIKey of 1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide?
The InChIKey is NZYHJQPZBUNDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN5O2S/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/h12-17H,3-11,19H2,1-2H3.
What are the key properties of 1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide?
1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide has a molecular weight of 389.54 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide is sourced from PubChem (CID 138645940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).