N-(3-methylpentan-3-yl)sulfamoyl chloride

C6H14ClNO2S — CID 106328388

IUPACN-(3-methylpentan-3-yl)sulfamoyl chloride
SMILESCCC(C)(CC)NS(=O)(=O)Cl
InChIInChI=1S/C6H14ClNO2S/c1-4-6(3,5-2)8-11(7,9)10/h8H,4-5H2,1-3H3
InChIKeyLKCUPHHUUAVTQN-UHFFFAOYSA-N
MW199.70 g/mol
LogP1.64
Rot. Bonds4

About N-(3-methylpentan-3-yl)sulfamoyl chloride

N-(3-methylpentan-3-yl)sulfamoyl chloride (PubChem CID 106328388) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)sulfamoyl chloride
PubChem CID106328388
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC NameN-(3-methylpentan-3-yl)sulfamoyl chloride
SMILESCCC(C)(CC)NS(=O)(=O)Cl
InChIInChI=1S/C6H14ClNO2S/c1-4-6(3,5-2)8-11(7,9)10/h8H,4-5H2,1-3H3
InChIKeyLKCUPHHUUAVTQN-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butylsulfamoyl chloride
CID 12682606
N-tert-butylsulfamate
CID 20446106
N-(2-methylbutan-2-yl)sulfamoyl chloride
CID 20641442
3-Methyl-3-(sulfinatoamino)pentane
CID 57106521
2-Methyl-2-(sulfinatoamino)butane
CID 57282466
2-Methyl-2-(sulfamoylamino)butane
CID 88001561
3-Ethyl-3-(sulfamoylamino)pentane
CID 88168087
3-Methylpentan-3-ylsulfamic acid
CID 89378864
sodium N-(2-methylbutan-2-yl)sulfamate
CID 174221395
3-Methyl-3-(sulfinoamino)pentane
CID 57106522
N-(3-ethylpentan-3-yl)sulfamoyl chloride
CID 114958366
N-(1-methylcyclobutyl)sulfamoyl chloride
CID 114958453

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)sulfamoyl chloride?
The IUPAC name of N-(3-methylpentan-3-yl)sulfamoyl chloride (CID 106328388) is N-(3-methylpentan-3-yl)sulfamoyl chloride.
What is the SMILES notation for N-(3-methylpentan-3-yl)sulfamoyl chloride?
The canonical SMILES for N-(3-methylpentan-3-yl)sulfamoyl chloride is CCC(C)(CC)NS(=O)(=O)Cl.
What is the InChIKey of N-(3-methylpentan-3-yl)sulfamoyl chloride?
The InChIKey is LKCUPHHUUAVTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO2S/c1-4-6(3,5-2)8-11(7,9)10/h8H,4-5H2,1-3H3.
What are the key properties of N-(3-methylpentan-3-yl)sulfamoyl chloride?
N-(3-methylpentan-3-yl)sulfamoyl chloride has a molecular weight of 199.70 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)sulfamoyl chloride is sourced from PubChem (CID 106328388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).