2-cyano-2-methylpropane-1-sulfinyl chloride

C5H8ClNOS — CID 165452700

IUPAC2-cyano-2-methylpropane-1-sulfinyl chloride
SMILESCC(C)(C#N)CS(=O)Cl
InChIInChI=1S/C5H8ClNOS/c1-5(2,3-7)4-9(6)8/h4H2,1-2H3
InChIKeyCUFXXJYEIPBWAR-UHFFFAOYSA-N
MW165.65 g/mol
LogP1.44
Rot. Bonds2

About 2-cyano-2-methylpropane-1-sulfinyl chloride

2-cyano-2-methylpropane-1-sulfinyl chloride (PubChem CID 165452700) has the molecular formula C5H8ClNOS and a molecular weight of 165.65 g/mol. Its IUPAC name is 2-cyano-2-methylpropane-1-sulfinyl chloride.

Molecular Properties

Compound Name2-cyano-2-methylpropane-1-sulfinyl chloride
PubChem CID165452700
Molecular FormulaC5H8ClNOS
Molecular Weight165.65 g/mol
Exact Mass165.00
IUPAC Name2-cyano-2-methylpropane-1-sulfinyl chloride
SMILESCC(C)(C#N)CS(=O)Cl
InChIInChI=1S/C5H8ClNOS/c1-5(2,3-7)4-9(6)8/h4H2,1-2H3
InChIKeyCUFXXJYEIPBWAR-UHFFFAOYSA-N
XLogP1.44
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.65
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyano-2-methylpropane-1-sulfinyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-5-methylsulfinylpentanenitrile
CID 65263343
sodium 3-cyano-3-methylbutane-1-sulfinate
CID 165453808
2,2-dimethylbutanenitrile;ethane
CID 144998313
4-butylsulfinyl-2,2-dimethylbutanenitrile
CID 65263242
5-methoxy-2,2,5-trimethylhexanenitrile
CID 103017221
3-[amino(methyl)amino]-2,2-dimethylpropanenitrile
CID 148789999
4-(2-methoxyethylsulfinyl)-2,2-dimethylbutanenitrile
CID 65263141
2-(3-cyano-3-methylbutyl)sulfinyl-2-methylpropanoic acid
CID 81229670
2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
CID 159256086
2,2-dimethyl-5-(2-methylpropylsulfinyl)pentanenitrile
CID 65263089
6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile
CID 106714842
2-(3-cyano-3-methylbutyl)sulfinylpropanoic acid
CID 65252348

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methylpropane-1-sulfinyl chloride?
The IUPAC name of 2-cyano-2-methylpropane-1-sulfinyl chloride (CID 165452700) is 2-cyano-2-methylpropane-1-sulfinyl chloride.
What is the SMILES notation for 2-cyano-2-methylpropane-1-sulfinyl chloride?
The canonical SMILES for 2-cyano-2-methylpropane-1-sulfinyl chloride is CC(C)(C#N)CS(=O)Cl.
What is the InChIKey of 2-cyano-2-methylpropane-1-sulfinyl chloride?
The InChIKey is CUFXXJYEIPBWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNOS/c1-5(2,3-7)4-9(6)8/h4H2,1-2H3.
What are the key properties of 2-cyano-2-methylpropane-1-sulfinyl chloride?
2-cyano-2-methylpropane-1-sulfinyl chloride has a molecular weight of 165.65 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methylpropane-1-sulfinyl chloride is sourced from PubChem (CID 165452700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).