4-methyl-N-methylsulfonylpentane-1-sulfonamide

C7H17NO4S2 — CID 146494424

IUPAC4-methyl-N-methylsulfonylpentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C7H17NO4S2/c1-7(2)5-4-6-14(11,12)8-13(3,9)10/h7-8H,4-6H2,1-3H3
InChIKeyDDHCLCJXXGMHLN-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.30
Rot. Bonds6

About 4-methyl-N-methylsulfonylpentane-1-sulfonamide

4-methyl-N-methylsulfonylpentane-1-sulfonamide (PubChem CID 146494424) has the molecular formula C7H17NO4S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-methyl-N-methylsulfonylpentane-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-methylsulfonylpentane-1-sulfonamide
PubChem CID146494424
Molecular FormulaC7H17NO4S2
Molecular Weight243.35 g/mol
Exact Mass243.06
IUPAC Name4-methyl-N-methylsulfonylpentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C7H17NO4S2/c1-7(2)5-4-6-14(11,12)8-13(3,9)10/h7-8H,4-6H2,1-3H3
InChIKeyDDHCLCJXXGMHLN-UHFFFAOYSA-N
XLogP0.30
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-methylsulfonylpentane-1-sulfonamide?
The IUPAC name of 4-methyl-N-methylsulfonylpentane-1-sulfonamide (CID 146494424) is 4-methyl-N-methylsulfonylpentane-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-methylsulfonylpentane-1-sulfonamide?
The canonical SMILES for 4-methyl-N-methylsulfonylpentane-1-sulfonamide is CC(C)CCCS(=O)(=O)NS(C)(=O)=O.
What is the InChIKey of 4-methyl-N-methylsulfonylpentane-1-sulfonamide?
The InChIKey is DDHCLCJXXGMHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S2/c1-7(2)5-4-6-14(11,12)8-13(3,9)10/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-methyl-N-methylsulfonylpentane-1-sulfonamide?
4-methyl-N-methylsulfonylpentane-1-sulfonamide has a molecular weight of 243.35 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-methylsulfonylpentane-1-sulfonamide is sourced from PubChem (CID 146494424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).