2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide

C14H24N4O2S — CID 107163426

IUPAC2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCC(C)(CNS(=O)(=O)c2cccnc2CN)CC1
InChIInChI=1S/C14H24N4O2S/c1-14(5-8-18(2)9-6-14)11-17-21(19,20)13-4-3-7-16-12(13)10-15/h3-4,7,17H,5-6,8-11,15H2,1-2H3
InChIKeyNHYLNYGGUZXLKS-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.55
Rot. Bonds5

About 2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide

2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 107163426) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID107163426
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCC(C)(CNS(=O)(=O)c2cccnc2CN)CC1
InChIInChI=1S/C14H24N4O2S/c1-14(5-8-18(2)9-6-14)11-17-21(19,20)13-4-3-7-16-12(13)10-15/h3-4,7,17H,5-6,8-11,15H2,1-2H3
InChIKeyNHYLNYGGUZXLKS-UHFFFAOYSA-N
XLogP0.55
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 114099734
2-(aminomethyl)-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-sulfonamide
CID 106594718
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106594742
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 106595040
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217438
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 106594462
6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 107163440
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289
2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide
CID 106594162
2-(aminomethyl)-N-(2-methylcyclopropyl)pyridine-3-sulfonamide
CID 106594415

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide (CID 107163426) is 2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide is CN1CCC(C)(CNS(=O)(=O)c2cccnc2CN)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is NHYLNYGGUZXLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-14(5-8-18(2)9-6-14)11-17-21(19,20)13-4-3-7-16-12(13)10-15/h3-4,7,17H,5-6,8-11,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 107163426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).