N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride

C8H18ClNO2S — CID 114958284

IUPACN-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)Cl
InChIInChI=1S/C8H18ClNO2S/c1-7(2,3)6-8(4,5)10-13(9,11)12/h10H,6H2,1-5H3
InChIKeyWJAVUEFQZUMZNI-UHFFFAOYSA-N
MW227.76 g/mol
LogP2.27
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride

N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride (PubChem CID 114958284) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride
PubChem CID114958284
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)Cl
InChIInChI=1S/C8H18ClNO2S/c1-7(2,3)6-8(4,5)10-13(9,11)12/h10H,6H2,1-5H3
InChIKeyWJAVUEFQZUMZNI-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

n,n'-Bis(2,4,4-trimethylpentan-2-yl)sulfuric diamide
CID 221350
N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine
CID 12708049
N-(1,1,3,3-tetramethyl-butyl)-methanesulfonamide
CID 19681856
2,2,4-Trimethyl-4-(sulfinatoamino)pentane
CID 19988469
2-methyl-N-(2-methylpentan-2-ylsulfamoyl)pentan-2-amine
CID 23323939
3-Ethyl-2,2-dimethyl-3-(sulfinatoamino)pentane
CID 57421739
Sulfuric acid;2,4,4-trimethylpentan-2-amine
CID 87088849
2,4,4-Trimethylpentan-2-ylsulfamic acid
CID 87283427
sodium N-(2,4,4-trimethylpentan-2-yl)sulfamate
CID 87409614
2-Methyl-2-(sulfamoylamino)pentane
CID 115598550
2,2,4-Trimethyl-4-(sulfinoamino)pentane
CID 19988470
N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride
CID 55279942

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride (CID 114958284) is N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride is CC(C)(C)CC(C)(C)NS(=O)(=O)Cl.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride?
The InChIKey is WJAVUEFQZUMZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO2S/c1-7(2,3)6-8(4,5)10-13(9,11)12/h10H,6H2,1-5H3.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride?
N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride has a molecular weight of 227.76 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)sulfamoyl chloride is sourced from PubChem (CID 114958284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).