N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide

C9H17NO2S — CID 115765107

IUPACN-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide
SMILESCC(CO)N(C)C(=O)C1CCCS1
InChIInChI=1S/C9H17NO2S/c1-7(6-11)10(2)9(12)8-4-3-5-13-8/h7-8,11H,3-6H2,1-2H3
InChIKeyGVKHLJQGLOIVBW-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.72
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide

N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide (PubChem CID 115765107) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide
PubChem CID115765107
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide
SMILESCC(CO)N(C)C(=O)C1CCCS1
InChIInChI=1S/C9H17NO2S/c1-7(6-11)10(2)9(12)8-4-3-5-13-8/h7-8,11H,3-6H2,1-2H3
InChIKeyGVKHLJQGLOIVBW-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylthiolane-2-carboxamide
CID 77021525
N,N-diethylthiolane-2-carboxamide
CID 64592668
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
2-methyl-1-[(2S)-thiolan-2-yl]propan-1-one
CID 142011998
4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide
CID 115869444
N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide
CID 103920134
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 112548115
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
2-amino-1-(thiolan-2-yl)propan-1-one
CID 115012507
5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688926
3-ethyl-1-(thiolan-2-yl)pentan-1-one
CID 82920307

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide (CID 115765107) is N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide is CC(CO)N(C)C(=O)C1CCCS1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide?
The InChIKey is GVKHLJQGLOIVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-7(6-11)10(2)9(12)8-4-3-5-13-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide has a molecular weight of 203.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide is sourced from PubChem (CID 115765107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).