2,2-dimethylpentane-3-sulfonamide

C7H17NO2S — CID 87086978

IUPAC2,2-dimethylpentane-3-sulfonamide
SMILESCCC(C(C)(C)C)S(N)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-5-6(7(2,3)4)11(8,9)10/h6H,5H2,1-4H3,(H2,8,9,10)
InChIKeyQCQLLUUINVSNFX-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.10
Rot. Bonds2

About 2,2-dimethylpentane-3-sulfonamide

2,2-dimethylpentane-3-sulfonamide (PubChem CID 87086978) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 2,2-dimethylpentane-3-sulfonamide.

Molecular Properties

Compound Name2,2-dimethylpentane-3-sulfonamide
PubChem CID87086978
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name2,2-dimethylpentane-3-sulfonamide
SMILESCCC(C(C)(C)C)S(N)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-5-6(7(2,3)4)11(8,9)10/h6H,5H2,1-4H3,(H2,8,9,10)
InChIKeyQCQLLUUINVSNFX-UHFFFAOYSA-N
XLogP1.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentane-3-sulfonamide?
The IUPAC name of 2,2-dimethylpentane-3-sulfonamide (CID 87086978) is 2,2-dimethylpentane-3-sulfonamide.
What is the SMILES notation for 2,2-dimethylpentane-3-sulfonamide?
The canonical SMILES for 2,2-dimethylpentane-3-sulfonamide is CCC(C(C)(C)C)S(N)(=O)=O.
What is the InChIKey of 2,2-dimethylpentane-3-sulfonamide?
The InChIKey is QCQLLUUINVSNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-6(7(2,3)4)11(8,9)10/h6H,5H2,1-4H3,(H2,8,9,10).
What are the key properties of 2,2-dimethylpentane-3-sulfonamide?
2,2-dimethylpentane-3-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentane-3-sulfonamide is sourced from PubChem (CID 87086978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).