N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide

C6H12N2O3S — CID 167837204

IUPACN-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](C)CS(N)(=O)=O
InChIInChI=1S/C6H12N2O3S/c1-3-6(9)8-5(2)4-12(7,10)11/h3,5H,1,4H2,2H3,(H,8,9)(H2,7,10,11)/t5-/m0/s1
InChIKeyCBXCKIMEHVLYIM-YFKPBYRVSA-N
MW192.24 g/mol
LogP-1.03
Rot. Bonds4

About N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide

N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide (PubChem CID 167837204) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide
PubChem CID167837204
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC NameN-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](C)CS(N)(=O)=O
InChIInChI=1S/C6H12N2O3S/c1-3-6(9)8-5(2)4-12(7,10)11/h3,5H,1,4H2,2H3,(H,8,9)(H2,7,10,11)/t5-/m0/s1
InChIKeyCBXCKIMEHVLYIM-YFKPBYRVSA-N
XLogP-1.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide?
The IUPAC name of N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide (CID 167837204) is N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide?
The canonical SMILES for N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide is C=CC(=O)N[C@@H](C)CS(N)(=O)=O.
What is the InChIKey of N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide?
The InChIKey is CBXCKIMEHVLYIM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-3-6(9)8-5(2)4-12(7,10)11/h3,5H,1,4H2,2H3,(H,8,9)(H2,7,10,11)/t5-/m0/s1.
What are the key properties of N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide?
N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide has a molecular weight of 192.24 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide is sourced from PubChem (CID 167837204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).