3-methylhexane-3-sulfonamide

C7H17NO2S — CID 57466986

IUPAC3-methylhexane-3-sulfonamide
SMILESCCCC(C)(CC)S(N)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-4-6-7(3,5-2)11(8,9)10/h4-6H2,1-3H3,(H2,8,9,10)
InChIKeyGIMGFABYSNDAKA-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.24
Rot. Bonds4

About 3-methylhexane-3-sulfonamide

3-methylhexane-3-sulfonamide (PubChem CID 57466986) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 3-methylhexane-3-sulfonamide.

Molecular Properties

Compound Name3-methylhexane-3-sulfonamide
PubChem CID57466986
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name3-methylhexane-3-sulfonamide
SMILESCCCC(C)(CC)S(N)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-4-6-7(3,5-2)11(8,9)10/h4-6H2,1-3H3,(H2,8,9,10)
InChIKeyGIMGFABYSNDAKA-UHFFFAOYSA-N
XLogP1.24
TPSA60.16 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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylhexane-3-sulfonamide?
The IUPAC name of 3-methylhexane-3-sulfonamide (CID 57466986) is 3-methylhexane-3-sulfonamide.
What is the SMILES notation for 3-methylhexane-3-sulfonamide?
The canonical SMILES for 3-methylhexane-3-sulfonamide is CCCC(C)(CC)S(N)(=O)=O.
What is the InChIKey of 3-methylhexane-3-sulfonamide?
The InChIKey is GIMGFABYSNDAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-6-7(3,5-2)11(8,9)10/h4-6H2,1-3H3,(H2,8,9,10).
What are the key properties of 3-methylhexane-3-sulfonamide?
3-methylhexane-3-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexane-3-sulfonamide is sourced from PubChem (CID 57466986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).