N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide

C15H33NO2S — CID 18735825

IUPACN-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(CCC(C)(C)C)CC(C)C
InChIInChI=1S/C15H33NO2S/c1-7-8-9-12-19(17,18)16(13-14(2)3)11-10-15(4,5)6/h14H,7-13H2,1-6H3
InChIKeyNFHCSFALFTXSJQ-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.90
Rot. Bonds9

About N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide

N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide (PubChem CID 18735825) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide
PubChem CID18735825
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC NameN-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(CCC(C)(C)C)CC(C)C
InChIInChI=1S/C15H33NO2S/c1-7-8-9-12-19(17,18)16(13-14(2)3)11-10-15(4,5)6/h14H,7-13H2,1-6H3
InChIKeyNFHCSFALFTXSJQ-UHFFFAOYSA-N
XLogP3.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
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-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide (CID 18735825) is N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide is CCCCCS(=O)(=O)N(CCC(C)(C)C)CC(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide?
The InChIKey is NFHCSFALFTXSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-7-8-9-12-19(17,18)16(13-14(2)3)11-10-15(4,5)6/h14H,7-13H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide?
N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide has a molecular weight of 291.50 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide is sourced from PubChem (CID 18735825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).