2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide

C13H22N4O2S — CID 106085863

IUPAC2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESCc1ccncc1CNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C13H22N4O2S/c1-11-5-6-15-9-12(11)10-16-20(18,19)17-7-3-2-4-13(17)8-14/h5-6,9,13,16H,2-4,7-8,10,14H2,1H3
InChIKeyBVSVLDHHJLVMIQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.54
Rot. Bonds5

About 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide

2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide (PubChem CID 106085863) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide
PubChem CID106085863
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESCc1ccncc1CNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C13H22N4O2S/c1-11-5-6-15-9-12(11)10-16-20(18,19)17-7-3-2-4-13(17)8-14/h5-6,9,13,16H,2-4,7-8,10,14H2,1H3
InChIKeyBVSVLDHHJLVMIQ-UHFFFAOYSA-N
XLogP0.54
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide (CID 106085863) is 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide is Cc1ccncc1CNS(=O)(=O)N1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide?
The InChIKey is BVSVLDHHJLVMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-11-5-6-15-9-12(11)10-16-20(18,19)17-7-3-2-4-13(17)8-14/h5-6,9,13,16H,2-4,7-8,10,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106085863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).