2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine

C7H18N2O2S2 — CID 174915958

IUPAC2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine
SMILESC=CCSN.CC(C)(C)S(N)(=O)=O
InChIInChI=1S/C4H11NO2S.C3H7NS/c1-4(2,3)8(5,6)7;1-2-3-5-4/h1-3H3,(H2,5,6,7);2H,1,3-4H2
InChIKeyVCWSCEMZMBZAIT-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.85
Rot. Bonds2

About 2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine

2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine (PubChem CID 174915958) has the molecular formula C7H18N2O2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine.

Molecular Properties

Compound Name2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine
PubChem CID174915958
Molecular FormulaC7H18N2O2S2
Molecular Weight226.37 g/mol
Exact Mass226.08
IUPAC Name2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine
SMILESC=CCSN.CC(C)(C)S(N)(=O)=O
InChIInChI=1S/C4H11NO2S.C3H7NS/c1-4(2,3)8(5,6)7;1-2-3-5-4/h1-3H3,(H2,5,6,7);2H,1,3-4H2
InChIKeyVCWSCEMZMBZAIT-UHFFFAOYSA-N
XLogP0.85
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

chloromethane;prop-2-ene-1-sulfonamide
CID 174937700
3-tert-butyl-2-prop-2-enylsulfanylbenzenesulfonamide
CID 23199147
3-sulfosulfanylprop-1-ene
CID 10582995
N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide
CID 87377827
(2S)-2-amino-3-methyl-3-prop-2-enylsulfanylbutanoic acid
CID 13127849
tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane
CID 165087260
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
3-amino-4-(2-prop-2-enylsulfanylethylsulfamoyl)benzoic acid
CID 106425421
2-amino-4,5-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425500
3-prop-2-enylsulfanylprop-1-ene;urea
CID 174462951
tribromomethanesulfonamide
CID 21445274
ethenesulfonamide
CID 520075

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine?
The IUPAC name of 2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine (CID 174915958) is 2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine.
What is the SMILES notation for 2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine?
The canonical SMILES for 2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine is C=CCSN.CC(C)(C)S(N)(=O)=O.
What is the InChIKey of 2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine?
The InChIKey is VCWSCEMZMBZAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S.C3H7NS/c1-4(2,3)8(5,6)7;1-2-3-5-4/h1-3H3,(H2,5,6,7);2H,1,3-4H2.
What are the key properties of 2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine?
2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine has a molecular weight of 226.37 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine is sourced from PubChem (CID 174915958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).