N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide

C14H22N2O2S — CID 86817906

IUPACN-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
SMILESCC(C)(C)CCN(C1CC1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)8-10-16(12-6-7-12)19(17,18)13-5-4-9-15-11-13/h4-5,9,11-12H,6-8,10H2,1-3H3
InChIKeyOQMCCBRICKLZTC-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.67
Rot. Bonds5

About N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide

N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide (PubChem CID 86817906) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
PubChem CID86817906
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
SMILESCC(C)(C)CCN(C1CC1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)8-10-16(12-6-7-12)19(17,18)13-5-4-9-15-11-13/h4-5,9,11-12H,6-8,10H2,1-3H3
InChIKeyOQMCCBRICKLZTC-UHFFFAOYSA-N
XLogP2.67
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102873627
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N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
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N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 141273254
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
CID 94151657
N-methyl-N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 63297947
2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 32892520
2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]-N-(4-methylsulfanylphenyl)acetamide
CID 55603402
N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide
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4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 118527402
1-N,4-N-dicyclopropyl-4-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
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CID 61232982

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide (CID 86817906) is N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide is CC(C)(C)CCN(C1CC1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide?
The InChIKey is OQMCCBRICKLZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2,3)8-10-16(12-6-7-12)19(17,18)13-5-4-9-15-11-13/h4-5,9,11-12H,6-8,10H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide?
N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 86817906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).