4-cyclohexylsulfanylhexan-1-amine

C12H25NS — CID 57235156

IUPAC4-cyclohexylsulfanylhexan-1-amine
SMILESCCC(CCCN)SC1CCCCC1
InChIInChI=1S/C12H25NS/c1-2-11(9-6-10-13)14-12-7-4-3-5-8-12/h11-12H,2-10,13H2,1H3
InChIKeySXSRJLQFJCGHHD-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.57
Rot. Bonds6

About 4-cyclohexylsulfanylhexan-1-amine

4-cyclohexylsulfanylhexan-1-amine (PubChem CID 57235156) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4-cyclohexylsulfanylhexan-1-amine.

Molecular Properties

Compound Name4-cyclohexylsulfanylhexan-1-amine
PubChem CID57235156
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4-cyclohexylsulfanylhexan-1-amine
SMILESCCC(CCCN)SC1CCCCC1
InChIInChI=1S/C12H25NS/c1-2-11(9-6-10-13)14-12-7-4-3-5-8-12/h11-12H,2-10,13H2,1H3
InChIKeySXSRJLQFJCGHHD-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanylhexan-1-amine?
The IUPAC name of 4-cyclohexylsulfanylhexan-1-amine (CID 57235156) is 4-cyclohexylsulfanylhexan-1-amine.
What is the SMILES notation for 4-cyclohexylsulfanylhexan-1-amine?
The canonical SMILES for 4-cyclohexylsulfanylhexan-1-amine is CCC(CCCN)SC1CCCCC1.
What is the InChIKey of 4-cyclohexylsulfanylhexan-1-amine?
The InChIKey is SXSRJLQFJCGHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-2-11(9-6-10-13)14-12-7-4-3-5-8-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 4-cyclohexylsulfanylhexan-1-amine?
4-cyclohexylsulfanylhexan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanylhexan-1-amine is sourced from PubChem (CID 57235156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).