3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide

C15H22N2O2S — CID 97102694

IUPAC3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2C=CCCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-12(17-14-8-4-3-5-9-14)13-7-6-10-15(11-13)20(18,19)16-2/h4,6-8,10-12,14,16-17H,3,5,9H2,1-2H3/t12-,14-/m1/s1
InChIKeyUDOAKXGSTBZLRV-TZMCWYRMSA-N
MW294.42 g/mol
LogP2.35
Rot. Bonds5

About 3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide

3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide (PubChem CID 97102694) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide
PubChem CID97102694
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2C=CCCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-12(17-14-8-4-3-5-9-14)13-7-6-10-15(11-13)20(18,19)16-2/h4,6-8,10-12,14,16-17H,3,5,9H2,1-2H3/t12-,14-/m1/s1
InChIKeyUDOAKXGSTBZLRV-TZMCWYRMSA-N
XLogP2.35
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 ≤ 52.35
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

N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine
CID 107907455
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
CID 95189601
N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide
CID 75427832
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
(1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine
CID 122395369
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 146136068
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
N-methyl-3-[1-[(2-propan-2-yloxan-3-yl)methylamino]ethyl]benzenesulfonamide
CID 167970837
3-hexan-3-yl-N-methylbenzenesulfonamide
CID 139318427

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide (CID 97102694) is 3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2C=CCCC2)c1.
What is the InChIKey of 3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide?
The InChIKey is UDOAKXGSTBZLRV-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-12(17-14-8-4-3-5-9-14)13-7-6-10-15(11-13)20(18,19)16-2/h4,6-8,10-12,14,16-17H,3,5,9H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of 3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide?
3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 97102694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).