N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide

C14H31NO2S — CID 18735821

IUPACN-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CN(CCC(C)(C)C)S(=O)(=O)CC(C)C
InChIInChI=1S/C14H31NO2S/c1-12(2)10-15(9-8-14(5,6)7)18(16,17)11-13(3)4/h12-13H,8-11H2,1-7H3
InChIKeyGZEZJVBVQQXVPB-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.37
Rot. Bonds7

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

N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide (PubChem CID 18735821) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
PubChem CID18735821
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CN(CCC(C)(C)C)S(=O)(=O)CC(C)C
InChIInChI=1S/C14H31NO2S/c1-12(2)10-15(9-8-14(5,6)7)18(16,17)11-13(3)4/h12-13H,8-11H2,1-7H3
InChIKeyGZEZJVBVQQXVPB-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide (CID 18735821) is N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide is CC(C)CN(CCC(C)(C)C)S(=O)(=O)CC(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
The InChIKey is GZEZJVBVQQXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-12(2)10-15(9-8-14(5,6)7)18(16,17)11-13(3)4/h12-13H,8-11H2,1-7H3.
What are the key properties of N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide has a molecular weight of 277.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 18735821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).