N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide

C12H27NO2S — CID 121012599

IUPACN-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C12H27NO2S/c1-6-7-8-9-16(14,15)13-12(10(2)3)11(4)5/h10-13H,6-9H2,1-5H3
InChIKeyPOXLPASCVQZOGC-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.78
Rot. Bonds8

About N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide

N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide (PubChem CID 121012599) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide
PubChem CID121012599
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C12H27NO2S/c1-6-7-8-9-16(14,15)13-12(10(2)3)11(4)5/h10-13H,6-9H2,1-5H3
InChIKeyPOXLPASCVQZOGC-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide (CID 121012599) is N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide is CCCCCS(=O)(=O)NC(C(C)C)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide?
The InChIKey is POXLPASCVQZOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-6-7-8-9-16(14,15)13-12(10(2)3)11(4)5/h10-13H,6-9H2,1-5H3.
What are the key properties of N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide?
N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide has a molecular weight of 249.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide is sourced from PubChem (CID 121012599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).