N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide

C7H17NO4S2 — CID 78925049

IUPACN-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO4S2/c1-4-6-14(11,12)8(2)5-7-13(3,9)10/h4-7H2,1-3H3
InChIKeyPKZILFHTIULEHW-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.30
Rot. Bonds6

About N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide

N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide (PubChem CID 78925049) has the molecular formula C7H17NO4S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide
PubChem CID78925049
Molecular FormulaC7H17NO4S2
Molecular Weight243.35 g/mol
Exact Mass243.06
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO4S2/c1-4-6-14(11,12)8(2)5-7-13(3,9)10/h4-7H2,1-3H3
InChIKeyPKZILFHTIULEHW-UHFFFAOYSA-N
XLogP-0.30
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide (CID 78925049) is N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide is CCCS(=O)(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide?
The InChIKey is PKZILFHTIULEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S2/c1-4-6-14(11,12)8(2)5-7-13(3,9)10/h4-7H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide?
N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide has a molecular weight of 243.35 g/mol, XLogP of -0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide is sourced from PubChem (CID 78925049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).