N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine

C10H19NO2S — CID 11171978

IUPACN-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine
SMILESC/C(=C\NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-9(14(2,12)13)8-11-10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3/b9-8+
InChIKeyXAOXRPGDPIZMGT-CMDGGOBGSA-N
MW217.33 g/mol
LogP1.81
Rot. Bonds3

About N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine

N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine (PubChem CID 11171978) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine
PubChem CID11171978
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine
SMILESC/C(=C\NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-9(14(2,12)13)8-11-10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3/b9-8+
InChIKeyXAOXRPGDPIZMGT-CMDGGOBGSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexylhydrazine;methanesulfonic acid
CID 22009940
cyclononylsulfamic acid
CID 67135870
N-cycloheptylmethanesulfonamide
CID 3113423
N-cyclohexylformamide;ethane
CID 143536975
cyclohexylsulfamic acid;hydrochloride
CID 67875894
CID 68761393
CID 68761393
cyclohexanol;methanesulfonic acid
CID 87594838
cyclopentylsulfamic acid
CID 21123026
N-cyclohexylsulfamoyl iodide
CID 155625677
sodium;N-cyclohexylformamide;hydride
CID 173020638
N-cyclobutylformamide;methanol
CID 142523729
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
CID 108831586

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine?
The IUPAC name of N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine (CID 11171978) is N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine.
What is the SMILES notation for N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine?
The canonical SMILES for N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine is C/C(=C\NC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine?
The InChIKey is XAOXRPGDPIZMGT-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(14(2,12)13)8-11-10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3/b9-8+.
What are the key properties of N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine?
N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine has a molecular weight of 217.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine is sourced from PubChem (CID 11171978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).