N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine

C10H19NS — CID 14315751

IUPACN-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine
SMILESCS/C=C\CNC1CCCCC1
InChIInChI=1S/C10H19NS/c1-12-9-5-8-11-10-6-3-2-4-7-10/h5,9-11H,2-4,6-8H2,1H3/b9-5-
InChIKeyAOLVBAWQCRZAST-UITAMQMPSA-N
MW185.34 g/mol
LogP2.79
Rot. Bonds4

About N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine

N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine (PubChem CID 14315751) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine
PubChem CID14315751
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine
SMILESCS/C=C\CNC1CCCCC1
InChIInChI=1S/C10H19NS/c1-12-9-5-8-11-10-6-3-2-4-7-10/h5,9-11H,2-4,6-8H2,1H3/b9-5-
InChIKeyAOLVBAWQCRZAST-UITAMQMPSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine?
The IUPAC name of N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine (CID 14315751) is N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine.
What is the SMILES notation for N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine?
The canonical SMILES for N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine is CS/C=C\CNC1CCCCC1.
What is the InChIKey of N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine?
The InChIKey is AOLVBAWQCRZAST-UITAMQMPSA-N. The full InChI is InChI=1S/C10H19NS/c1-12-9-5-8-11-10-6-3-2-4-7-10/h5,9-11H,2-4,6-8H2,1H3/b9-5-.
What are the key properties of N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine?
N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine has a molecular weight of 185.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine is sourced from PubChem (CID 14315751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).