N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride

C7H14ClNO2S2 — CID 164647991

IUPACN-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride
SMILESCC1CCC(N(C)S(=O)(=O)Cl)CS1
InChIInChI=1S/C7H14ClNO2S2/c1-6-3-4-7(5-12-6)9(2)13(8,10)11/h6-7H,3-5H2,1-2H3
InChIKeyYSXYRGUKFQVVOQ-UHFFFAOYSA-N
MW243.78 g/mol
LogP1.69
Rot. Bonds2

About N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride

N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride (PubChem CID 164647991) has the molecular formula C7H14ClNO2S2 and a molecular weight of 243.78 g/mol. Its IUPAC name is N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride
PubChem CID164647991
Molecular FormulaC7H14ClNO2S2
Molecular Weight243.78 g/mol
Exact Mass243.02
IUPAC NameN-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride
SMILESCC1CCC(N(C)S(=O)(=O)Cl)CS1
InChIInChI=1S/C7H14ClNO2S2/c1-6-3-4-7(5-12-6)9(2)13(8,10)11/h6-7H,3-5H2,1-2H3
InChIKeyYSXYRGUKFQVVOQ-UHFFFAOYSA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride?
The IUPAC name of N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride (CID 164647991) is N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride.
What is the SMILES notation for N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride?
The canonical SMILES for N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride is CC1CCC(N(C)S(=O)(=O)Cl)CS1.
What is the InChIKey of N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride?
The InChIKey is YSXYRGUKFQVVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S2/c1-6-3-4-7(5-12-6)9(2)13(8,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride?
N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride has a molecular weight of 243.78 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride is sourced from PubChem (CID 164647991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).