4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide

C21H33NO2S — CID 46193853

IUPAC4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide
SMILESCCCN(CCC(C)[C@H]1CC=C(C)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H33NO2S/c1-5-15-22(25(23,24)21-12-8-18(3)9-13-21)16-14-19(4)20-10-6-17(2)7-11-20/h6,8-9,12-13,19-20H,5,7,10-11,14-16H2,1-4H3/t19?,20-/m0/s1
InChIKeyZTECIBBFIKJRLV-ANYOKISRSA-N
MW363.57 g/mol
LogP5.17
Rot. Bonds8

About 4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide

4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide (PubChem CID 46193853) has the molecular formula C21H33NO2S and a molecular weight of 363.57 g/mol. Its IUPAC name is 4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide
PubChem CID46193853
Molecular FormulaC21H33NO2S
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Name4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide
SMILESCCCN(CCC(C)[C@H]1CC=C(C)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H33NO2S/c1-5-15-22(25(23,24)21-12-8-18(3)9-13-21)16-14-19(4)20-10-6-17(2)7-11-20/h6,8-9,12-13,19-20H,5,7,10-11,14-16H2,1-4H3/t19?,20-/m0/s1
InChIKeyZTECIBBFIKJRLV-ANYOKISRSA-N
XLogP5.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.57
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide (CID 46193853) is 4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide is CCCN(CCC(C)[C@H]1CC=C(C)CC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide?
The InChIKey is ZTECIBBFIKJRLV-ANYOKISRSA-N. The full InChI is InChI=1S/C21H33NO2S/c1-5-15-22(25(23,24)21-12-8-18(3)9-13-21)16-14-19(4)20-10-6-17(2)7-11-20/h6,8-9,12-13,19-20H,5,7,10-11,14-16H2,1-4H3/t19?,20-/m0/s1.
What are the key properties of 4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide?
4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide has a molecular weight of 363.57 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 46193853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).