N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide

C9H17NO2S — CID 103920134

IUPACN-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide
SMILESCC[C@H](CO)NC(=O)C1CCCS1
InChIInChI=1S/C9H17NO2S/c1-2-7(6-11)10-9(12)8-4-3-5-13-8/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8?/m1/s1
InChIKeyJMCPHMWWMXDEIX-GVHYBUMESA-N
MW203.31 g/mol
LogP0.77
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide (PubChem CID 103920134) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide
PubChem CID103920134
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide
SMILESCC[C@H](CO)NC(=O)C1CCCS1
InChIInChI=1S/C9H17NO2S/c1-2-7(6-11)10-9(12)8-4-3-5-13-8/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8?/m1/s1
InChIKeyJMCPHMWWMXDEIX-GVHYBUMESA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)thiolane-2-carboxamide
CID 80698105
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103920219
N-(1-bromo-4-methylpentan-2-yl)thiane-2-carboxamide
CID 114311692
N-(3-oxopentan-2-yl)thiane-2-carboxamide
CID 80593884
2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907
N-(1-bromo-3-methoxypropan-2-yl)thiane-2-carboxamide
CID 106184222
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide
CID 103725791
N-(1-chloro-4,4-dimethylpentan-3-yl)thiolane-2-carboxamide
CID 106355814
1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43418422
(2R)-4-methylsulfanyl-2-(thiolane-2-carbonylamino)butanoic acid
CID 104906552
N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide
CID 111477877

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide (CID 103920134) is N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide is CC[C@H](CO)NC(=O)C1CCCS1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide?
The InChIKey is JMCPHMWWMXDEIX-GVHYBUMESA-N. The full InChI is InChI=1S/C9H17NO2S/c1-2-7(6-11)10-9(12)8-4-3-5-13-8/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide has a molecular weight of 203.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide is sourced from PubChem (CID 103920134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).