N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide

C7H15NO2S — CID 115283404

IUPACN-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NC(C)CCO
InChIInChI=1S/C7H15NO2S/c1-6(3-4-9)8-7(10)5-11-2/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyJNLSAHLJDPWZJM-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.24
Rot. Bonds5

About N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide

N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide (PubChem CID 115283404) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide
PubChem CID115283404
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NC(C)CCO
InChIInChI=1S/C7H15NO2S/c1-6(3-4-9)8-7(10)5-11-2/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyJNLSAHLJDPWZJM-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107822300
(2R)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107823395
5-[(2-methylsulfanylacetyl)amino]hexanoic acid
CID 82854400
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 115283379
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
2-[2-(5-hydroxypentan-2-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104570148
2-ethoxy-N-(4-hydroxybutan-2-yl)acetamide
CID 81050051
4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide
CID 115283442
2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283509
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide (CID 115283404) is N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide is CSCC(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide?
The InChIKey is JNLSAHLJDPWZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(3-4-9)8-7(10)5-11-2/h6,9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide?
N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide has a molecular weight of 177.27 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide is sourced from PubChem (CID 115283404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).