N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride

C9H17ClN2O2S — CID 162112149

IUPACN-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride
SMILESCC(C)N(C(C)(C)CCC#N)S(=O)(=O)Cl
InChIInChI=1S/C9H17ClN2O2S/c1-8(2)12(15(10,13)14)9(3,4)6-5-7-11/h8H,5-6H2,1-4H3
InChIKeyZGHGFVLUKHEPSX-UHFFFAOYSA-N
MW252.77 g/mol
LogP2.26
Rot. Bonds5

About N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride

N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride (PubChem CID 162112149) has the molecular formula C9H17ClN2O2S and a molecular weight of 252.77 g/mol. Its IUPAC name is N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride.

Molecular Properties

Compound NameN-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride
PubChem CID162112149
Molecular FormulaC9H17ClN2O2S
Molecular Weight252.77 g/mol
Exact Mass252.07
IUPAC NameN-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride
SMILESCC(C)N(C(C)(C)CCC#N)S(=O)(=O)Cl
InChIInChI=1S/C9H17ClN2O2S/c1-8(2)12(15(10,13)14)9(3,4)6-5-7-11/h8H,5-6H2,1-4H3
InChIKeyZGHGFVLUKHEPSX-UHFFFAOYSA-N
XLogP2.26
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide
CID 55248307
4,4-dimethylpentanenitrile
CID 12656145
4,4-dimethylpentanenitrile;2,2-dimethylpropane
CID 165090579
3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine
CID 145379949
4-hydroxy-4,6-dimethylheptanenitrile
CID 14900500
2,2-dimethylpentanedinitrile
CID 19809777
2-N,2-N,2-N',2-N'-tetrakis(8-cyanooctyl)propane-2,2-disulfonamide
CID 159752075
3-[propan-2-yl(2-propan-2-ylsulfonylethyl)amino]propanenitrile
CID 103734410
1-N,1-N,1-N',1-N'-tetrakis(3-cyanopropyl)ethane-1,1-disulfonamide
CID 161077675
3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
CID 15076035
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898
2-chloro-N-(2-cyanoethyl)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 82102616

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride?
The IUPAC name of N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride (CID 162112149) is N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride.
What is the SMILES notation for N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride?
The canonical SMILES for N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride is CC(C)N(C(C)(C)CCC#N)S(=O)(=O)Cl.
What is the InChIKey of N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride?
The InChIKey is ZGHGFVLUKHEPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2S/c1-8(2)12(15(10,13)14)9(3,4)6-5-7-11/h8H,5-6H2,1-4H3.
What are the key properties of N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride?
N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride has a molecular weight of 252.77 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methylbutan-2-yl)-N-propan-2-ylsulfamoyl chloride is sourced from PubChem (CID 162112149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).