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

C11H25NO2S — CID 61361025

IUPACN-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-9(2)15(13,14)12-11(6,7)8-10(3,4)5/h9,12H,8H2,1-7H3
InChIKeyPXPZKLKPNKWBAN-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.53
Rot. Bonds4

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

N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide (PubChem CID 61361025) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide
PubChem CID61361025
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-9(2)15(13,14)12-11(6,7)8-10(3,4)5/h9,12H,8H2,1-7H3
InChIKeyPXPZKLKPNKWBAN-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide (CID 61361025) is N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
The InChIKey is PXPZKLKPNKWBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-9(2)15(13,14)12-11(6,7)8-10(3,4)5/h9,12H,8H2,1-7H3.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 61361025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).