N-methyl-N-propan-2-ylsulfamoyl chloride

C4H10ClNO2S — CID 16794766

IUPACN-methyl-N-propan-2-ylsulfamoyl chloride
SMILESCC(C)N(C)S(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO2S/c1-4(2)6(3)9(5,7)8/h4H,1-3H3
InChIKeyGAOQGZLCQBFHCZ-UHFFFAOYSA-N
MW171.65 g/mol
LogP0.81
Rot. Bonds2

About N-methyl-N-propan-2-ylsulfamoyl chloride

N-methyl-N-propan-2-ylsulfamoyl chloride (PubChem CID 16794766) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is N-methyl-N-propan-2-ylsulfamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-propan-2-ylsulfamoyl chloride
PubChem CID16794766
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC NameN-methyl-N-propan-2-ylsulfamoyl chloride
SMILESCC(C)N(C)S(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO2S/c1-4(2)6(3)9(5,7)8/h4H,1-3H3
InChIKeyGAOQGZLCQBFHCZ-UHFFFAOYSA-N
XLogP0.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-ylsulfamoyl chloride?
The IUPAC name of N-methyl-N-propan-2-ylsulfamoyl chloride (CID 16794766) is N-methyl-N-propan-2-ylsulfamoyl chloride.
What is the SMILES notation for N-methyl-N-propan-2-ylsulfamoyl chloride?
The canonical SMILES for N-methyl-N-propan-2-ylsulfamoyl chloride is CC(C)N(C)S(=O)(=O)Cl.
What is the InChIKey of N-methyl-N-propan-2-ylsulfamoyl chloride?
The InChIKey is GAOQGZLCQBFHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO2S/c1-4(2)6(3)9(5,7)8/h4H,1-3H3.
What are the key properties of N-methyl-N-propan-2-ylsulfamoyl chloride?
N-methyl-N-propan-2-ylsulfamoyl chloride has a molecular weight of 171.65 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-ylsulfamoyl chloride is sourced from PubChem (CID 16794766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).