3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide

C15H22N2O2S — CID 43752019

IUPAC3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NCC2CC=CCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-12-8-9-14(20(18,19)16-2)10-15(12)17-11-13-6-4-3-5-7-13/h3-4,8-10,13,16-17H,5-7,11H2,1-2H3
InChIKeyIFDLHZOZBWFPAV-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.67
Rot. Bonds5

About 3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide

3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide (PubChem CID 43752019) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide
PubChem CID43752019
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NCC2CC=CCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-12-8-9-14(20(18,19)16-2)10-15(12)17-11-13-6-4-3-5-7-13/h3-4,8-10,13,16-17H,5-7,11H2,1-2H3
InChIKeyIFDLHZOZBWFPAV-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1R)-cyclohex-3-en-1-yl]methylamino]-4-methylbenzenesulfonamide
CID 129365495
3-bromo-4-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide
CID 43745614
N-(cyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685183
4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide
CID 43745770
N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide
CID 43677239
N-(cyclohex-3-en-1-ylmethyl)-2,5-dimethyl-4-nitroaniline
CID 103144978
4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide
CID 82900583
N,4-dimethyl-3-(pentylamino)benzenesulfonamide
CID 43752016
3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide
CID 43744206
2-bromo-N-(cyclohex-3-en-1-ylmethyl)-4-methyl-5-nitroaniline
CID 104815007
N,4-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43752109
4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107294980

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide (CID 43752019) is 3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C)c(NCC2CC=CCC2)c1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide?
The InChIKey is IFDLHZOZBWFPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-12-8-9-14(20(18,19)16-2)10-15(12)17-11-13-6-4-3-5-7-13/h3-4,8-10,13,16-17H,5-7,11H2,1-2H3.
What are the key properties of 3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide?
3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 43752019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).