(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine

C11H23NS — CID 10750601

IUPAC(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine
SMILESCCSC[C@@H](N)CC1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3/t11-/m0/s1
InChIKeyQBHWEWCWYAPTGS-NSHDSACASA-N
MW201.38 g/mol
LogP3.04
Rot. Bonds5

About (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine

(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine (PubChem CID 10750601) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine
PubChem CID10750601
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine
SMILESCCSC[C@@H](N)CC1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3/t11-/m0/s1
InChIKeyQBHWEWCWYAPTGS-NSHDSACASA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine?
The IUPAC name of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine (CID 10750601) is (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine.
What is the SMILES notation for (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine?
The canonical SMILES for (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine is CCSC[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine?
The InChIKey is QBHWEWCWYAPTGS-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine?
(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 10750601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).