2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide

C7H15NO3S — CID 103430459

IUPAC2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide
SMILESCS(=O)CCNC(=O)C(C)(C)O
InChIInChI=1S/C7H15NO3S/c1-7(2,10)6(9)8-4-5-12(3)11/h10H,4-5H2,1-3H3,(H,8,9)
InChIKeyNKLDWFMDRUSINJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.75
Rot. Bonds4

About 2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide

2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide (PubChem CID 103430459) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide
PubChem CID103430459
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide
SMILESCS(=O)CCNC(=O)C(C)(C)O
InChIInChI=1S/C7H15NO3S/c1-7(2,10)6(9)8-4-5-12(3)11/h10H,4-5H2,1-3H3,(H,8,9)
InChIKeyNKLDWFMDRUSINJ-UHFFFAOYSA-N
XLogP-0.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide
CID 162977129
2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 106509718
2-hydroxy-2-methyl-N-(2-methylsulfanylethyl)propanamide
CID 57939571
2-hydroxy-N,2-dimethyl-3-methylsulfonylpropanamide
CID 129013536
(2R)-2-hydroxy-N,2-dimethyl-3-methylsulfonylpropanamide
CID 129013537
2-hydroxy-2-methyl-N-(1-sulfanylpropan-2-yl)propanamide
CID 156238043
2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide
CID 177122851
2-hydroxy-2-methyl-3-methylsulfonyl-N-propan-2-ylpropanamide
CID 177122893
N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
CID 65109700
N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide
CID 65109943
N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide
CID 65109966
N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
CID 65110399

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide (CID 103430459) is 2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide is CS(=O)CCNC(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide?
The InChIKey is NKLDWFMDRUSINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(2,10)6(9)8-4-5-12(3)11/h10H,4-5H2,1-3H3,(H,8,9).
What are the key properties of 2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide?
2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide has a molecular weight of 193.27 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-(2-methylsulfinylethyl)propanamide is sourced from PubChem (CID 103430459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).