N-methyl-N-pentylsulfamoyl chloride

C6H14ClNO2S — CID 43294741

IUPACN-methyl-N-pentylsulfamoyl chloride
SMILESCCCCCN(C)S(=O)(=O)Cl
InChIInChI=1S/C6H14ClNO2S/c1-3-4-5-6-8(2)11(7,9)10/h3-6H2,1-2H3
InChIKeyYTPWJDZJJXHDNI-UHFFFAOYSA-N
MW199.70 g/mol
LogP1.59
Rot. Bonds5

About N-methyl-N-pentylsulfamoyl chloride

N-methyl-N-pentylsulfamoyl chloride (PubChem CID 43294741) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is N-methyl-N-pentylsulfamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-pentylsulfamoyl chloride
PubChem CID43294741
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC NameN-methyl-N-pentylsulfamoyl chloride
SMILESCCCCCN(C)S(=O)(=O)Cl
InChIInChI=1S/C6H14ClNO2S/c1-3-4-5-6-8(2)11(7,9)10/h3-6H2,1-2H3
InChIKeyYTPWJDZJJXHDNI-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentylsulfamoyl chloride?
The IUPAC name of N-methyl-N-pentylsulfamoyl chloride (CID 43294741) is N-methyl-N-pentylsulfamoyl chloride.
What is the SMILES notation for N-methyl-N-pentylsulfamoyl chloride?
The canonical SMILES for N-methyl-N-pentylsulfamoyl chloride is CCCCCN(C)S(=O)(=O)Cl.
What is the InChIKey of N-methyl-N-pentylsulfamoyl chloride?
The InChIKey is YTPWJDZJJXHDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO2S/c1-3-4-5-6-8(2)11(7,9)10/h3-6H2,1-2H3.
What are the key properties of N-methyl-N-pentylsulfamoyl chloride?
N-methyl-N-pentylsulfamoyl chloride has a molecular weight of 199.70 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentylsulfamoyl chloride is sourced from PubChem (CID 43294741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).