2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide

C7H15NO2S — CID 10241354

IUPAC2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide
SMILESCSCCC(O)C(=O)N(C)C
InChIInChI=1S/C7H15NO2S/c1-8(2)7(10)6(9)4-5-11-3/h6,9H,4-5H2,1-3H3
InChIKeyHCMOVBCNKOGIES-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.19
Rot. Bonds4

About 2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide

2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide (PubChem CID 10241354) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide
PubChem CID10241354
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide
SMILESCSCCC(O)C(=O)N(C)C
InChIInChI=1S/C7H15NO2S/c1-8(2)7(10)6(9)4-5-11-3/h6,9H,4-5H2,1-3H3
InChIKeyHCMOVBCNKOGIES-UHFFFAOYSA-N
XLogP0.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-methyl-4-(methylsulfanyl)butanamide
CID 10329617
2-Hydroxy-4-(methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one
CID 165677813
N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide
CID 123578726
2-Hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one
CID 131154012
2-hydroxy-N-(hydroxymethyl)-N-methyl-3-sulfanylpropanamide
CID 140037687
2-hydroxy-N,N-dimethyl-3-sulfanylpropanamide
CID 140037692
N,N-dibutyl-2-hydroxy-4-methylsulfanylbutanamide
CID 9992842
N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide
CID 10082175
N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide
CID 10442545
4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide
CID 103520069

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide (CID 10241354) is 2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide is CSCCC(O)C(=O)N(C)C.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide?
The InChIKey is HCMOVBCNKOGIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-8(2)7(10)6(9)4-5-11-3/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide?
2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide has a molecular weight of 177.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 10241354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).