2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide

C9H17NO2S — CID 103429486

IUPAC2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide
SMILESCN(C(=O)C(C)(C)O)C1CCSC1
InChIInChI=1S/C9H17NO2S/c1-9(2,12)8(11)10(3)7-4-5-13-6-7/h7,12H,4-6H2,1-3H3
InChIKeyPZRCKCPUTCPXFE-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.72
Rot. Bonds2

About 2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide

2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide (PubChem CID 103429486) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide
PubChem CID103429486
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide
SMILESCN(C(=O)C(C)(C)O)C1CCSC1
InChIInChI=1S/C9H17NO2S/c1-9(2,12)8(11)10(3)7-4-5-13-6-7/h7,12H,4-6H2,1-3H3
InChIKeyPZRCKCPUTCPXFE-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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,2-dimethyl-2-(methylamino)-N-(thiolan-3-yl)propanamide
CID 62836193
2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide
CID 60867525
1-amino-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 65466990
2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride
CID 120597645
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074
1-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096737
N-methyl-3-oxo-N-(thiolan-3-yl)butanamide
CID 43296752
methyl 2-[methyl(thiolan-3-yl)amino]-2-oxoacetate
CID 112616550
(2R)-3,3-dimethyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
CID 113353161
1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 115452254
N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide
CID 129371666

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide?
The IUPAC name of 2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide (CID 103429486) is 2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide is CN(C(=O)C(C)(C)O)C1CCSC1.
What is the InChIKey of 2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide?
The InChIKey is PZRCKCPUTCPXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2,12)8(11)10(3)7-4-5-13-6-7/h7,12H,4-6H2,1-3H3.
What are the key properties of 2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide?
2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide has a molecular weight of 203.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide is sourced from PubChem (CID 103429486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).