2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide

C7H15NO2S — CID 103705550

IUPAC2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
SMILESCNC(=O)CSC(C)C(C)O
InChIInChI=1S/C7H15NO2S/c1-5(9)6(2)11-4-7(10)8-3/h5-6,9H,4H2,1-3H3,(H,8,10)
InChIKeyOPLISPTZWBMHBU-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.23
Rot. Bonds4

About 2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide

2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide (PubChem CID 103705550) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
PubChem CID103705550
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
SMILESCNC(=O)CSC(C)C(C)O
InChIInChI=1S/C7H15NO2S/c1-5(9)6(2)11-4-7(10)8-3/h5-6,9H,4H2,1-3H3,(H,8,10)
InChIKeyOPLISPTZWBMHBU-UHFFFAOYSA-N
XLogP0.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705800
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
CID 103705755
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103706056
2-(1-cyanopropylsulfanyl)-N-methylacetamide
CID 130489917
2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
CID 65418587
1-cyclopropyl-2-(3-hydroxybutan-2-ylsulfanyl)ethanone
CID 107771448
2-[(2S,3R)-3-hydroxybutan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 96537329
3-(2-methylprop-2-enylsulfanyl)butan-2-ol
CID 103705548
N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide
CID 103705558
methyl 4-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]butanoate
CID 103706058
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 103706138
N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244448

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide?
The IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide (CID 103705550) is 2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide?
The canonical SMILES for 2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide is CNC(=O)CSC(C)C(C)O.
What is the InChIKey of 2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide?
The InChIKey is OPLISPTZWBMHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-5(9)6(2)11-4-7(10)8-3/h5-6,9H,4H2,1-3H3,(H,8,10).
What are the key properties of 2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide?
2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide has a molecular weight of 177.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide is sourced from PubChem (CID 103705550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).