2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide

C12H27NO2S — CID 146435354

IUPAC2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-10(2,3)9-12(7,8)13-16(14,15)11(4,5)6/h13H,9H2,1-8H3
InChIKeyBLTGQVHQCJVPBV-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.92
Rot. Bonds3

About 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide

2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide (PubChem CID 146435354) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide
PubChem CID146435354
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-10(2,3)9-12(7,8)13-16(14,15)11(4,5)6/h13H,9H2,1-8H3
InChIKeyBLTGQVHQCJVPBV-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide (CID 146435354) is 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide is CC(C)(C)CC(C)(C)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
The InChIKey is BLTGQVHQCJVPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-10(2,3)9-12(7,8)13-16(14,15)11(4,5)6/h13H,9H2,1-8H3.
What are the key properties of 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide has a molecular weight of 249.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 146435354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).