2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide

C7H14ClNO2S — CID 115879988

IUPAC2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide
SMILESCC(CCS(C)=O)NC(=O)CCl
InChIInChI=1S/C7H14ClNO2S/c1-6(3-4-12(2)11)9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyLAPPHHOLIUMUQH-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.50
Rot. Bonds5

About 2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide

2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide (PubChem CID 115879988) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide
PubChem CID115879988
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide
SMILESCC(CCS(C)=O)NC(=O)CCl
InChIInChI=1S/C7H14ClNO2S/c1-6(3-4-12(2)11)9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyLAPPHHOLIUMUQH-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylsulfinylbutan-2-yl)-3-sulfanylpropanamide
CID 107035623
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
CID 87981003
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
1-ethyl-3-(4-methylsulfinylbutan-2-yl)thiourea
CID 116510263
2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide
CID 162712779
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
2,2,3,3,3-pentafluoro-N-(4-methylsulfinylbutan-2-yl)propanamide
CID 114038253
1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea
CID 115698103
1-(2-methoxyethyl)-3-(4-methylsulfinylbutan-2-yl)thiourea
CID 116510261
4-methylsulfinyl-N-propylbutan-2-amine
CID 64657042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide (CID 115879988) is 2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide is CC(CCS(C)=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide?
The InChIKey is LAPPHHOLIUMUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-6(3-4-12(2)11)9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide?
2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide has a molecular weight of 211.71 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide is sourced from PubChem (CID 115879988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).