(2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol

C14H31NOS — CID 142946154

IUPAC(2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol
SMILESCC(C)SCC[C@@H](N)CC1CCCCC1.CO
InChIInChI=1S/C13H27NS.CH4O/c1-11(2)15-9-8-13(14)10-12-6-4-3-5-7-12;1-2/h11-13H,3-10,14H2,1-2H3;2H,1H3/t13-;/m1./s1
InChIKeyAMISPTIPYOMTCG-BTQNPOSSSA-N
MW261.47 g/mol
LogP3.42
Rot. Bonds6

About (2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol

(2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol (PubChem CID 142946154) has the molecular formula C14H31NOS and a molecular weight of 261.47 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol
PubChem CID142946154
Molecular FormulaC14H31NOS
Molecular Weight261.47 g/mol
Exact Mass261.21
IUPAC Name(2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol
SMILESCC(C)SCC[C@@H](N)CC1CCCCC1.CO
InChIInChI=1S/C13H27NS.CH4O/c1-11(2)15-9-8-13(14)10-12-6-4-3-5-7-12;1-2/h11-13H,3-10,14H2,1-2H3;2H,1H3/t13-;/m1./s1
InChIKeyAMISPTIPYOMTCG-BTQNPOSSSA-N
XLogP3.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol?
The IUPAC name of (2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol (CID 142946154) is (2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol.
What is the SMILES notation for (2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol?
The canonical SMILES for (2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol is CC(C)SCC[C@@H](N)CC1CCCCC1.CO.
What is the InChIKey of (2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol?
The InChIKey is AMISPTIPYOMTCG-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H27NS.CH4O/c1-11(2)15-9-8-13(14)10-12-6-4-3-5-7-12;1-2/h11-13H,3-10,14H2,1-2H3;2H,1H3/t13-;/m1./s1.
What are the key properties of (2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol?
(2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol has a molecular weight of 261.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-4-propan-2-ylsulfanylbutan-2-amine;methanol is sourced from PubChem (CID 142946154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).