N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine

C12H16N2O2S — CID 114598944

IUPACN-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1cccnc1NC1CC=CCC1
InChIInChI=1S/C12H16N2O2S/c1-17(15,16)11-8-5-9-13-12(11)14-10-6-3-2-4-7-10/h2-3,5,8-10H,4,6-7H2,1H3,(H,13,14)
InChIKeyZRLIHICNERTZNX-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.01
Rot. Bonds3

About N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine

N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine (PubChem CID 114598944) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine
PubChem CID114598944
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1cccnc1NC1CC=CCC1
InChIInChI=1S/C12H16N2O2S/c1-17(15,16)11-8-5-9-13-12(11)14-10-6-3-2-4-7-10/h2-3,5,8-10H,4,6-7H2,1H3,(H,13,14)
InChIKeyZRLIHICNERTZNX-UHFFFAOYSA-N
XLogP2.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 106544504
3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 114598779
N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine
CID 106545829
N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine
CID 114598897
N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine
CID 114599099
N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 114598974
N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine
CID 114598832
1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione
CID 114598952
N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
CID 106538942
N-cyclopropyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598969
2-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]propanoic acid
CID 114598295
N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
CID 114598970

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine (CID 114598944) is N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine is CS(=O)(=O)c1cccnc1NC1CC=CCC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine?
The InChIKey is ZRLIHICNERTZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-17(15,16)11-8-5-9-13-12(11)14-10-6-3-2-4-7-10/h2-3,5,8-10H,4,6-7H2,1H3,(H,13,14).
What are the key properties of N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine?
N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine has a molecular weight of 252.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114598944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).