2,2-dimethylpropane-1-sulfonamide

C5H13NO2S — CID 18348400

IUPAC2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3,(H2,6,7,8)
InChIKeyVQXWDAAONGOPPT-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.32
Rot. Bonds1

About 2,2-dimethylpropane-1-sulfonamide

2,2-dimethylpropane-1-sulfonamide (PubChem CID 18348400) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethylpropane-1-sulfonamide
PubChem CID18348400
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3,(H2,6,7,8)
InChIKeyVQXWDAAONGOPPT-UHFFFAOYSA-N
XLogP0.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butanesulfonamide
CID 18460
2-Pentanesulfonamide
CID 205367
Propane-2-sulfonamide
CID 3549191
1-Pentanesulfonamide
CID 10920696
Propane-1-sulphonamide
CID 3401849
2-Methylpropane-1-sulfonamide
CID 10197726
2,2-Dimethylpropane-1-sulfonyl chloride
CID 12574632
3,3-Dimethylbutane-1-sulfonamide
CID 51892333
Hexane-1-sulfonamide
CID 13537577
2-Methylbutane-1-sulfonamide
CID 20152313
Butane-2-sulfonamide
CID 20482438
tert-Butylsulfonamide
CID 2757335

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 2,2-dimethylpropane-1-sulfonamide (CID 18348400) is 2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(N)(=O)=O.
What is the InChIKey of 2,2-dimethylpropane-1-sulfonamide?
The InChIKey is VQXWDAAONGOPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3,(H2,6,7,8).
What are the key properties of 2,2-dimethylpropane-1-sulfonamide?
2,2-dimethylpropane-1-sulfonamide has a molecular weight of 151.23 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 18348400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).