N,3-dimethylpentane-3-sulfonamide

C7H17NO2S — CID 148773695

IUPACN,3-dimethylpentane-3-sulfonamide
SMILESCCC(C)(CC)S(=O)(=O)NC
InChIInChI=1S/C7H17NO2S/c1-5-7(3,6-2)11(9,10)8-4/h8H,5-6H2,1-4H3
InChIKeyOIXLIDGFEXBZSV-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.11
Rot. Bonds4

About N,3-dimethylpentane-3-sulfonamide

N,3-dimethylpentane-3-sulfonamide (PubChem CID 148773695) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N,3-dimethylpentane-3-sulfonamide.

Molecular Properties

Compound NameN,3-dimethylpentane-3-sulfonamide
PubChem CID148773695
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN,3-dimethylpentane-3-sulfonamide
SMILESCCC(C)(CC)S(=O)(=O)NC
InChIInChI=1S/C7H17NO2S/c1-5-7(3,6-2)11(9,10)8-4/h8H,5-6H2,1-4H3
InChIKeyOIXLIDGFEXBZSV-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-3-methylpentane-3-sulfonamide
CID 118182289
N,2-dimethylpentane-2-sulfonamide
CID 173242989
3-methyl-3-(trifluoromethylsulfonyl)pentane
CID 88539345
2-cyano-N-methylpropane-2-sulfonamide
CID 118172771
3-methyl-3-(3-methylpentan-3-ylsulfonylmethyl)pentane
CID 126735687
3-methylhexane-3-sulfonamide
CID 57466986
2-methyl-2-(methylsulfamoylamino)butanenitrile
CID 114807719
5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide
CID 123591167
N-(2-methylbutan-2-yl)sulfamoyl chloride
CID 20641442
3-methyl-3-(3-methylicosan-3-ylsulfonyl)icosane
CID 169224285
N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide
CID 58312165
2-methyl-2-methylsulfonylbutane
CID 20813325

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpentane-3-sulfonamide?
The IUPAC name of N,3-dimethylpentane-3-sulfonamide (CID 148773695) is N,3-dimethylpentane-3-sulfonamide.
What is the SMILES notation for N,3-dimethylpentane-3-sulfonamide?
The canonical SMILES for N,3-dimethylpentane-3-sulfonamide is CCC(C)(CC)S(=O)(=O)NC.
What is the InChIKey of N,3-dimethylpentane-3-sulfonamide?
The InChIKey is OIXLIDGFEXBZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-7(3,6-2)11(9,10)8-4/h8H,5-6H2,1-4H3.
What are the key properties of N,3-dimethylpentane-3-sulfonamide?
N,3-dimethylpentane-3-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylpentane-3-sulfonamide is sourced from PubChem (CID 148773695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).