(2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine

C12H25NS — CID 91522044

IUPAC(2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine
SMILESCCSC[C@@H](N)CCC1CCCCC1
InChIInChI=1S/C12H25NS/c1-2-14-10-12(13)9-8-11-6-4-3-5-7-11/h11-12H,2-10,13H2,1H3/t12-/m0/s1
InChIKeyHSYRYNXKFKAAGF-LBPRGKRZSA-N
MW215.41 g/mol
LogP3.43
Rot. Bonds6

About (2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine

(2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine (PubChem CID 91522044) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is (2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine.

Molecular Properties

Compound Name(2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine
PubChem CID91522044
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name(2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine
SMILESCCSC[C@@H](N)CCC1CCCCC1
InChIInChI=1S/C12H25NS/c1-2-14-10-12(13)9-8-11-6-4-3-5-7-11/h11-12H,2-10,13H2,1H3/t12-/m0/s1
InChIKeyHSYRYNXKFKAAGF-LBPRGKRZSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine?
The IUPAC name of (2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine (CID 91522044) is (2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine.
What is the SMILES notation for (2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine?
The canonical SMILES for (2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine is CCSC[C@@H](N)CCC1CCCCC1.
What is the InChIKey of (2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine?
The InChIKey is HSYRYNXKFKAAGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25NS/c1-2-14-10-12(13)9-8-11-6-4-3-5-7-11/h11-12H,2-10,13H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine?
(2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-cyclohexyl-1-ethylsulfanylbutan-2-amine is sourced from PubChem (CID 91522044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).