2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide

C12H17N3O2S — CID 106545415

IUPAC2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C12H17N3O2S/c1-4-10(5-2)15(3)18(16,17)12-7-6-8-14-11(12)9-13/h6-8,10H,4-5H2,1-3H3
InChIKeyRADXPMPMLILWBX-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.76
Rot. Bonds5

About 2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide

2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide (PubChem CID 106545415) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
PubChem CID106545415
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C12H17N3O2S/c1-4-10(5-2)15(3)18(16,17)12-7-6-8-14-11(12)9-13/h6-8,10H,4-5H2,1-3H3
InChIKeyRADXPMPMLILWBX-UHFFFAOYSA-N
XLogP1.76
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 106545418
2-cyano-N-methoxy-N-methylpyridine-3-sulfonamide
CID 106545270
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide
CID 106546805
2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid
CID 106593268
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 106595893
N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106593160
2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide
CID 106595245
methyl 3-[(2-cyano-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 106545523
N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide
CID 106545670
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide (CID 106545415) is 2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide is CCC(CC)N(C)S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide?
The InChIKey is RADXPMPMLILWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-10(5-2)15(3)18(16,17)12-7-6-8-14-11(12)9-13/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide?
2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 106545415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).