(2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide

C11H21NO2S — CID 124855975

IUPAC(2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide
SMILESCC[C@H](SC)C(=O)N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C11H21NO2S/c1-3-10(15-2)11(14)12-8-6-4-5-7-9(8)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t8-,9+,10-/m0/s1
InChIKeyDDUGSMSRKOFSLZ-AEJSXWLSSA-N
MW231.36 g/mol
LogP1.55
Rot. Bonds4

About (2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide

(2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide (PubChem CID 124855975) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide
PubChem CID124855975
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide
SMILESCC[C@H](SC)C(=O)N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C11H21NO2S/c1-3-10(15-2)11(14)12-8-6-4-5-7-9(8)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t8-,9+,10-/m0/s1
InChIKeyDDUGSMSRKOFSLZ-AEJSXWLSSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 11252410
N-(2-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109889420
N-[(1R,2R)-2-Hydroxycyclohexyl]butanamide
CID 11412789
N-(2-hydroxycyclohexyl)butanamide
CID 14785671
3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide
CID 23297944
(3S)-3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide
CID 57070040
N-(2-hydroxycyclohexyl)hexanamide
CID 62365416
N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide
CID 104927504
N-[(1S,2S)-2-hydroxycyclohexyl]hexanamide
CID 104957023
N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 104957029
N-[(3S)-2,5-dihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide
CID 118371257
N-[(1S,2R)-2-hydroxycyclohexyl]propanamide
CID 124174503

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide?
The IUPAC name of (2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide (CID 124855975) is (2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide?
The canonical SMILES for (2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide is CC[C@H](SC)C(=O)N[C@H]1CCCC[C@H]1O.
What is the InChIKey of (2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide?
The InChIKey is DDUGSMSRKOFSLZ-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-10(15-2)11(14)12-8-6-4-5-7-9(8)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t8-,9+,10-/m0/s1.
What are the key properties of (2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide?
(2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide has a molecular weight of 231.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide is sourced from PubChem (CID 124855975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).