6-cyclohexylsulfanylhexan-2-amine

C12H25NS — CID 64633438

IUPAC6-cyclohexylsulfanylhexan-2-amine
SMILESCC(N)CCCCSC1CCCCC1
InChIInChI=1S/C12H25NS/c1-11(13)7-5-6-10-14-12-8-3-2-4-9-12/h11-12H,2-10,13H2,1H3
InChIKeyXVMFJFVLXPHBMU-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.57
Rot. Bonds6

About 6-cyclohexylsulfanylhexan-2-amine

6-cyclohexylsulfanylhexan-2-amine (PubChem CID 64633438) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 6-cyclohexylsulfanylhexan-2-amine.

Molecular Properties

Compound Name6-cyclohexylsulfanylhexan-2-amine
PubChem CID64633438
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name6-cyclohexylsulfanylhexan-2-amine
SMILESCC(N)CCCCSC1CCCCC1
InChIInChI=1S/C12H25NS/c1-11(13)7-5-6-10-14-12-8-3-2-4-9-12/h11-12H,2-10,13H2,1H3
InChIKeyXVMFJFVLXPHBMU-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylsulfanylhexan-2-amine?
The IUPAC name of 6-cyclohexylsulfanylhexan-2-amine (CID 64633438) is 6-cyclohexylsulfanylhexan-2-amine.
What is the SMILES notation for 6-cyclohexylsulfanylhexan-2-amine?
The canonical SMILES for 6-cyclohexylsulfanylhexan-2-amine is CC(N)CCCCSC1CCCCC1.
What is the InChIKey of 6-cyclohexylsulfanylhexan-2-amine?
The InChIKey is XVMFJFVLXPHBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-11(13)7-5-6-10-14-12-8-3-2-4-9-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 6-cyclohexylsulfanylhexan-2-amine?
6-cyclohexylsulfanylhexan-2-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 6-cyclohexylsulfanylhexan-2-amine is sourced from PubChem (CID 64633438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).