N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride

C6H14ClNO2S — CID 114958473

IUPACN-(3,3-dimethylbutan-2-yl)sulfamoyl chloride
SMILESCC(NS(=O)(=O)Cl)C(C)(C)C
InChIInChI=1S/C6H14ClNO2S/c1-5(6(2,3)4)8-11(7,9)10/h5,8H,1-4H3
InChIKeyQAJQZYVCUBQNFM-UHFFFAOYSA-N
MW199.70 g/mol
LogP1.49
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride

N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride (PubChem CID 114958473) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)sulfamoyl chloride
PubChem CID114958473
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC NameN-(3,3-dimethylbutan-2-yl)sulfamoyl chloride
SMILESCC(NS(=O)(=O)Cl)C(C)(C)C
InChIInChI=1S/C6H14ClNO2S/c1-5(6(2,3)4)8-11(7,9)10/h5,8H,1-4H3
InChIKeyQAJQZYVCUBQNFM-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride (CID 114958473) is N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride is CC(NS(=O)(=O)Cl)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride?
The InChIKey is QAJQZYVCUBQNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO2S/c1-5(6(2,3)4)8-11(7,9)10/h5,8H,1-4H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride?
N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride has a molecular weight of 199.70 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)sulfamoyl chloride is sourced from PubChem (CID 114958473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).