2-methyl-N-(3-methylbutyl)propane-2-sulfonamide

C9H21NO2S — CID 20657897

IUPAC2-methyl-N-(3-methylbutyl)propane-2-sulfonamide
SMILESCC(C)CCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)6-7-10-13(11,12)9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyKFNFETYTJBLIEG-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds4

About 2-methyl-N-(3-methylbutyl)propane-2-sulfonamide

2-methyl-N-(3-methylbutyl)propane-2-sulfonamide (PubChem CID 20657897) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)propane-2-sulfonamide
PubChem CID20657897
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name2-methyl-N-(3-methylbutyl)propane-2-sulfonamide
SMILESCC(C)CCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)6-7-10-13(11,12)9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyKFNFETYTJBLIEG-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)propane-2-sulfonamide (CID 20657897) is 2-methyl-N-(3-methylbutyl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)propane-2-sulfonamide is CC(C)CCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)propane-2-sulfonamide?
The InChIKey is KFNFETYTJBLIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(2)6-7-10-13(11,12)9(3,4)5/h8,10H,6-7H2,1-5H3.
What are the key properties of 2-methyl-N-(3-methylbutyl)propane-2-sulfonamide?
2-methyl-N-(3-methylbutyl)propane-2-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)propane-2-sulfonamide is sourced from PubChem (CID 20657897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).