6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide

C17H27N3O2S — CID 133322671

IUPAC6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(NC2CC=CCC2)nc1
InChIInChI=1S/C17H27N3O2S/c1-13(2)20(14(3)4)23(21,22)16-10-11-17(18-12-16)19-15-8-6-5-7-9-15/h5-6,10-15H,7-9H2,1-4H3,(H,18,19)
InChIKeyQGZRIOFTRAPCQQ-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.41
Rot. Bonds6

About 6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide

6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide (PubChem CID 133322671) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
PubChem CID133322671
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(NC2CC=CCC2)nc1
InChIInChI=1S/C17H27N3O2S/c1-13(2)20(14(3)4)23(21,22)16-10-11-17(18-12-16)19-15-8-6-5-7-9-15/h5-6,10-15H,7-9H2,1-4H3,(H,18,19)
InChIKeyQGZRIOFTRAPCQQ-UHFFFAOYSA-N
XLogP3.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohex-3-en-1-yl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133322670
6-(cyclopent-3-en-1-ylamino)-N-methylpyridine-3-sulfonamide
CID 133362208
6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 133336161
6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103623850
N,N-dimethyl-6-(pyrrolidin-3-ylamino)pyridine-3-sulfonamide
CID 103341109
N-cyclopent-3-en-1-yl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133362074
6-[2-(4-methylpiperidin-1-yl)ethylamino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 55827762
6-(2,2-diphenylhydrazinyl)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267867
6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267884
6-(1-cyclobutylethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103850302
N-cyclopropyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 96664227
5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine
CID 130540607

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide (CID 133322671) is 6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide is CC(C)N(C(C)C)S(=O)(=O)c1ccc(NC2CC=CCC2)nc1.
What is the InChIKey of 6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The InChIKey is QGZRIOFTRAPCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-13(2)20(14(3)4)23(21,22)16-10-11-17(18-12-16)19-15-8-6-5-7-9-15/h5-6,10-15H,7-9H2,1-4H3,(H,18,19).
What are the key properties of 6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide has a molecular weight of 337.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 133322671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).