N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide

C14H23NO3S — CID 10968088

IUPACN-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide
SMILESC[C@]1(O)C(=O)CS[C@@]1(C)CC(=O)NC1CCCCC1
InChIInChI=1S/C14H23NO3S/c1-13(14(2,18)11(16)9-19-13)8-12(17)15-10-6-4-3-5-7-10/h10,18H,3-9H2,1-2H3,(H,15,17)/t13-,14-/m0/s1
InChIKeyBQDXBPJKZMKPDI-KBPBESRZSA-N
MW285.41 g/mol
LogP1.65
Rot. Bonds3

About N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide

N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide (PubChem CID 10968088) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide
PubChem CID10968088
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide
SMILESC[C@]1(O)C(=O)CS[C@@]1(C)CC(=O)NC1CCCCC1
InChIInChI=1S/C14H23NO3S/c1-13(14(2,18)11(16)9-19-13)8-12(17)15-10-6-4-3-5-7-10/h10,18H,3-9H2,1-2H3,(H,15,17)/t13-,14-/m0/s1
InChIKeyBQDXBPJKZMKPDI-KBPBESRZSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide (CID 10968088) is N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide is C[C@]1(O)C(=O)CS[C@@]1(C)CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide?
The InChIKey is BQDXBPJKZMKPDI-KBPBESRZSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-13(14(2,18)11(16)9-19-13)8-12(17)15-10-6-4-3-5-7-10/h10,18H,3-9H2,1-2H3,(H,15,17)/t13-,14-/m0/s1.
What are the key properties of N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide?
N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide has a molecular weight of 285.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2S,3S)-3-hydroxy-2,3-dimethyl-4-oxothiolan-2-yl]acetamide is sourced from PubChem (CID 10968088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).