4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide

C12H20N4O2S — CID 106087973

IUPAC4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide
SMILESCc1cncc(NS(=O)(=O)N2CCC(CN)CC2)c1
InChIInChI=1S/C12H20N4O2S/c1-10-6-12(9-14-8-10)15-19(17,18)16-4-2-11(7-13)3-5-16/h6,8-9,11,15H,2-5,7,13H2,1H3
InChIKeySHFROHUMLSOCRB-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.72
Rot. Bonds4

About 4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide (PubChem CID 106087973) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide
PubChem CID106087973
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide
SMILESCc1cncc(NS(=O)(=O)N2CCC(CN)CC2)c1
InChIInChI=1S/C12H20N4O2S/c1-10-6-12(9-14-8-10)15-19(17,18)16-4-2-11(7-13)3-5-16/h6,8-9,11,15H,2-5,7,13H2,1H3
InChIKeySHFROHUMLSOCRB-UHFFFAOYSA-N
XLogP0.72
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dimethylpyridin-3-amine
CID 7060669
(1S,6R)-3-(5-methylpyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane
CID 16099105
N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 292900
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide
CID 5156859
(1S,4S)-2-(5-aminomethyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane
CID 10176616
1-(5-Ethynylpyridin-3-yl)piperazine
CID 11513890
N-(4-Pyridinylmethyl)-1-piperazineethanamine
CID 248754
3-Amino-5-methylpyridine
CID 2762894
1,2,3,4-Tetrahydro-1,7-naphthyridine
CID 17801446
3-Amino-4-picoline
CID 137935
N,4-Dimethylpyridin-3-amine
CID 14930927
N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 4070204

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide (CID 106087973) is 4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide is Cc1cncc(NS(=O)(=O)N2CCC(CN)CC2)c1.
What is the InChIKey of 4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide?
The InChIKey is SHFROHUMLSOCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10-6-12(9-14-8-10)15-19(17,18)16-4-2-11(7-13)3-5-16/h6,8-9,11,15H,2-5,7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106087973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).