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

C12H19N3O2S — CID 114956767

IUPACN-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESCc1ccncc1CNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H19N3O2S/c1-10-4-6-14-7-11(10)8-15-18(16,17)12-3-2-5-13-9-12/h4,6-7,12-13,15H,2-3,5,8-9H2,1H3
InChIKeyWTYDUNXJHSDJRQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.56
Rot. Bonds4

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

N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide (PubChem CID 114956767) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide
PubChem CID114956767
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESCc1ccncc1CNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H19N3O2S/c1-10-4-6-14-7-11(10)8-15-18(16,17)12-3-2-5-13-9-12/h4,6-7,12-13,15H,2-3,5,8-9H2,1H3
InChIKeyWTYDUNXJHSDJRQ-UHFFFAOYSA-N
XLogP0.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide (CID 114956767) is N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide is Cc1ccncc1CNS(=O)(=O)C1CCCNC1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide?
The InChIKey is WTYDUNXJHSDJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-4-6-14-7-11(10)8-15-18(16,17)12-3-2-5-13-9-12/h4,6-7,12-13,15H,2-3,5,8-9H2,1H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide?
N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 114956767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).