N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine

C12H25NS — CID 100920931

IUPACN-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine
SMILESCCC(CNC1CCCCC1)CSC
InChIInChI=1S/C12H25NS/c1-3-11(10-14-2)9-13-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3
InChIKeyWWBBDGLYZIJFHO-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds6

About N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine

N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine (PubChem CID 100920931) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine
PubChem CID100920931
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine
SMILESCCC(CNC1CCCCC1)CSC
InChIInChI=1S/C12H25NS/c1-3-11(10-14-2)9-13-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3
InChIKeyWWBBDGLYZIJFHO-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine?
The IUPAC name of N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine (CID 100920931) is N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine.
What is the SMILES notation for N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine?
The canonical SMILES for N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine is CCC(CNC1CCCCC1)CSC.
What is the InChIKey of N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine?
The InChIKey is WWBBDGLYZIJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-3-11(10-14-2)9-13-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine?
N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine is sourced from PubChem (CID 100920931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).