2-(1-hydroxypropan-2-ylsulfanyl)propanamide

C6H13NO2S — CID 115659409

IUPAC2-(1-hydroxypropan-2-ylsulfanyl)propanamide
SMILESCC(CO)SC(C)C(N)=O
InChIInChI=1S/C6H13NO2S/c1-4(3-8)10-5(2)6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9)
InChIKeyQBPYRLGVHAHHID-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.03
Rot. Bonds4

About 2-(1-hydroxypropan-2-ylsulfanyl)propanamide

2-(1-hydroxypropan-2-ylsulfanyl)propanamide (PubChem CID 115659409) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylsulfanyl)propanamide
PubChem CID115659409
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-(1-hydroxypropan-2-ylsulfanyl)propanamide
SMILESCC(CO)SC(C)C(N)=O
InChIInChI=1S/C6H13NO2S/c1-4(3-8)10-5(2)6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9)
InChIKeyQBPYRLGVHAHHID-UHFFFAOYSA-N
XLogP-0.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-ylsulfanylpropanamide
CID 59881908
2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid
CID 43082896
(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide
CID 124595607
butan-2-yl thiohypochlorite;carbamic acid
CID 88674015
2-aminopropanamide;dihydrochloride
CID 19963402
2-amino-3-hydroxypropanamide;hydrochloride
CID 3085322
3-(hydroxymethyl)-2-methylpent-4-enamide
CID 175989379
ethane-1,2-diol;2-fluoropropanamide
CID 175562566
2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
CID 61247308
2-(prop-2-enyldisulfanyl)propanamide
CID 87643091
2,3-dimethylbutanediamide
CID 55281411
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)propanamide?
The IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)propanamide (CID 115659409) is 2-(1-hydroxypropan-2-ylsulfanyl)propanamide.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylsulfanyl)propanamide?
The canonical SMILES for 2-(1-hydroxypropan-2-ylsulfanyl)propanamide is CC(CO)SC(C)C(N)=O.
What is the InChIKey of 2-(1-hydroxypropan-2-ylsulfanyl)propanamide?
The InChIKey is QBPYRLGVHAHHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-4(3-8)10-5(2)6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9).
What are the key properties of 2-(1-hydroxypropan-2-ylsulfanyl)propanamide?
2-(1-hydroxypropan-2-ylsulfanyl)propanamide has a molecular weight of 163.24 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylsulfanyl)propanamide is sourced from PubChem (CID 115659409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).