N-cyclohex-2-en-1-yl-2-methylsulfonylaniline

C13H17NO2S — CID 71920706

IUPACN-cyclohex-2-en-1-yl-2-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccccc1NC1C=CCCC1
InChIInChI=1S/C13H17NO2S/c1-17(15,16)13-10-6-5-9-12(13)14-11-7-3-2-4-8-11/h3,5-7,9-11,14H,2,4,8H2,1H3
InChIKeyJPOZSZBDQJJZCG-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.61
Rot. Bonds3

About N-cyclohex-2-en-1-yl-2-methylsulfonylaniline

N-cyclohex-2-en-1-yl-2-methylsulfonylaniline (PubChem CID 71920706) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-2-methylsulfonylaniline
PubChem CID71920706
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-cyclohex-2-en-1-yl-2-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccccc1NC1C=CCCC1
InChIInChI=1S/C13H17NO2S/c1-17(15,16)13-10-6-5-9-12(13)14-11-7-3-2-4-8-11/h3,5-7,9-11,14H,2,4,8H2,1H3
InChIKeyJPOZSZBDQJJZCG-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohex-2-en-1-ylamino)benzoic acid
CID 56648257
2-bromo-N-cyclohex-2-en-1-yl-3-methylaniline
CID 107907589
(2E)-N-(2-methylsulfanylphenyl)cyclooct-2-en-1-amine
CID 114227908
2-(2-methylsulfonylanilino)cyclohexane-1-carboxylic acid
CID 64816669
N-(2-methylsulfonylphenyl)-1-oxothian-4-amine
CID 54981813
N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline
CID 43724620
1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one
CID 106258032
2-methyl-N-(2-methylsulfonylphenyl)thian-3-amine
CID 79956934
(2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine
CID 114227803
2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 51929140
N-(2-methylsulfonylphenyl)-4-propylcycloheptan-1-amine
CID 65086579
1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine
CID 71871132

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-2-methylsulfonylaniline?
The IUPAC name of N-cyclohex-2-en-1-yl-2-methylsulfonylaniline (CID 71920706) is N-cyclohex-2-en-1-yl-2-methylsulfonylaniline.
What is the SMILES notation for N-cyclohex-2-en-1-yl-2-methylsulfonylaniline?
The canonical SMILES for N-cyclohex-2-en-1-yl-2-methylsulfonylaniline is CS(=O)(=O)c1ccccc1NC1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-2-methylsulfonylaniline?
The InChIKey is JPOZSZBDQJJZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-17(15,16)13-10-6-5-9-12(13)14-11-7-3-2-4-8-11/h3,5-7,9-11,14H,2,4,8H2,1H3.
What are the key properties of N-cyclohex-2-en-1-yl-2-methylsulfonylaniline?
N-cyclohex-2-en-1-yl-2-methylsulfonylaniline has a molecular weight of 251.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-2-methylsulfonylaniline is sourced from PubChem (CID 71920706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).