N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide

C9H17NO2S — CID 115283671

IUPACN-(4-hydroxybutan-2-yl)thiolane-3-carboxamide
SMILESCC(CCO)NC(=O)C1CCSC1
InChIInChI=1S/C9H17NO2S/c1-7(2-4-11)10-9(12)8-3-5-13-6-8/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyFCGRWXTUFGCNBE-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.63
Rot. Bonds4

About N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide

N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide (PubChem CID 115283671) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)thiolane-3-carboxamide
PubChem CID115283671
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(4-hydroxybutan-2-yl)thiolane-3-carboxamide
SMILESCC(CCO)NC(=O)C1CCSC1
InChIInChI=1S/C9H17NO2S/c1-7(2-4-11)10-9(12)8-3-5-13-6-8/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyFCGRWXTUFGCNBE-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide
CID 103782283
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795
N-(1-bromo-3-methylbutan-2-yl)thiolane-3-carboxamide
CID 114316118
N-(2-methylpropyl)thiolane-3-carboxamide
CID 64592330
N-(1-bromobutan-2-yl)thiolane-3-carboxamide
CID 114307638
N-(1-chloro-4,4-dimethylpentan-3-yl)thiolane-3-carboxamide
CID 106355862
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
2-(thiane-4-carbonylamino)propanoic acid
CID 119348546
5-methoxy-2-(thiolane-3-carbonylamino)pentanoic acid
CID 81077225
1-(cyclopropanecarbonyl)-N-(4-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 115283610
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide
CID 64542327

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide (CID 115283671) is N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide is CC(CCO)NC(=O)C1CCSC1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide?
The InChIKey is FCGRWXTUFGCNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-7(2-4-11)10-9(12)8-3-5-13-6-8/h7-8,11H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide?
N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide has a molecular weight of 203.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide is sourced from PubChem (CID 115283671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).