3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide

C16H24N2O2S — CID 79884493

IUPAC3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C16H24N2O2S/c1-12-10-15(17)13(2)16(11-12)21(19,20)18-9-8-14-6-4-3-5-7-14/h6,10-11,18H,3-5,7-9,17H2,1-2H3
InChIKeyYMMVJVNMBCCNMY-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.05
Rot. Bonds5

About 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide

3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 79884493) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID79884493
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C16H24N2O2S/c1-12-10-15(17)13(2)16(11-12)21(19,20)18-9-8-14-6-4-3-5-7-14/h6,10-11,18H,3-5,7-9,17H2,1-2H3
InChIKeyYMMVJVNMBCCNMY-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106164705
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 61111770
5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 106164632
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 107845952
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074
4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 61113473
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 107855942
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 63321878
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106034900

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide (CID 79884493) is 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is YMMVJVNMBCCNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-10-15(17)13(2)16(11-12)21(19,20)18-9-8-14-6-4-3-5-7-14/h6,10-11,18H,3-5,7-9,17H2,1-2H3.
What are the key properties of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79884493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).