N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide

C10H23NO2S — CID 59292348

IUPACN-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCCC(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-9(2)8-14(12,13)11-7-6-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyFMMMWQHDLTWADE-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.00
Rot. Bonds5

About N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide

N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide (PubChem CID 59292348) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide
PubChem CID59292348
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCCC(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-9(2)8-14(12,13)11-7-6-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyFMMMWQHDLTWADE-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide (CID 59292348) is N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide?
The InChIKey is FMMMWQHDLTWADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(2)8-14(12,13)11-7-6-10(3,4)5/h9,11H,6-8H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide?
N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 59292348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).