azane;2-methylpropyl N-prop-2-enoylsulfamate

C7H16N2O4S — CID 174864475

IUPACazane;2-methylpropyl N-prop-2-enoylsulfamate
SMILESC=CC(=O)NS(=O)(=O)OCC(C)C.N
InChIInChI=1S/C7H13NO4S.H3N/c1-4-7(9)8-13(10,11)12-5-6(2)3;/h4,6H,1,5H2,2-3H3,(H,8,9);1H3
InChIKeyNFEZOWPOAOWEEO-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.37
Rot. Bonds5

About azane;2-methylpropyl N-prop-2-enoylsulfamate

azane;2-methylpropyl N-prop-2-enoylsulfamate (PubChem CID 174864475) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is azane;2-methylpropyl N-prop-2-enoylsulfamate.

Molecular Properties

Compound Nameazane;2-methylpropyl N-prop-2-enoylsulfamate
PubChem CID174864475
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Nameazane;2-methylpropyl N-prop-2-enoylsulfamate
SMILESC=CC(=O)NS(=O)(=O)OCC(C)C.N
InChIInChI=1S/C7H13NO4S.H3N/c1-4-7(9)8-13(10,11)12-5-6(2)3;/h4,6H,1,5H2,2-3H3,(H,8,9);1H3
InChIKeyNFEZOWPOAOWEEO-UHFFFAOYSA-N
XLogP0.37
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl hydrogen sulfate;prop-2-enamide
CID 175239758
prop-2-enoylsulfamoyl propanoate
CID 174441844
prop-1-enyl N-prop-2-enoylsulfamate
CID 174424200
2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate
CID 139716097
CID 86745857
CID 86745857
(prop-2-enoylamino) 3-methylbutane-1-sulfonate
CID 174766203
N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
CID 118137430
N-butylsulfonylprop-2-enamide
CID 130339621
N-(propylsulfamoyl)prop-2-enamide
CID 154223157
azane;2-methyl-1-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173264796
sodium;hydride;propyl 1-(prop-2-enoylamino)ethanesulfonate
CID 175477829
1-(prop-2-enoylamino)ethanesulfonic acid
CID 18361641

Frequently Asked Questions

What is the IUPAC name of azane;2-methylpropyl N-prop-2-enoylsulfamate?
The IUPAC name of azane;2-methylpropyl N-prop-2-enoylsulfamate (CID 174864475) is azane;2-methylpropyl N-prop-2-enoylsulfamate.
What is the SMILES notation for azane;2-methylpropyl N-prop-2-enoylsulfamate?
The canonical SMILES for azane;2-methylpropyl N-prop-2-enoylsulfamate is C=CC(=O)NS(=O)(=O)OCC(C)C.N.
What is the InChIKey of azane;2-methylpropyl N-prop-2-enoylsulfamate?
The InChIKey is NFEZOWPOAOWEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S.H3N/c1-4-7(9)8-13(10,11)12-5-6(2)3;/h4,6H,1,5H2,2-3H3,(H,8,9);1H3.
What are the key properties of azane;2-methylpropyl N-prop-2-enoylsulfamate?
azane;2-methylpropyl N-prop-2-enoylsulfamate has a molecular weight of 224.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methylpropyl N-prop-2-enoylsulfamate is sourced from PubChem (CID 174864475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).