[(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride

C4H11ClN2O2S — CID 10821425

IUPAC[(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride
SMILESC[C@H]([NH3+])/C=C/S(N)(=O)=O.[Cl-]
InChIInChI=1S/C4H10N2O2S.ClH/c1-4(5)2-3-9(6,7)8;/h2-4H,5H2,1H3,(H2,6,7,8);1H/b3-2+;/t4-;/m0./s1
InChIKeyGNAHIGPJRLXKKZ-XMFKBHDTSA-N
MW186.66 g/mol
LogP-4.58
Rot. Bonds2

About [(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride

[(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride (PubChem CID 10821425) has the molecular formula C4H11ClN2O2S and a molecular weight of 186.66 g/mol. Its IUPAC name is [(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride.

Molecular Properties

Compound Name[(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride
PubChem CID10821425
Molecular FormulaC4H11ClN2O2S
Molecular Weight186.66 g/mol
Exact Mass186.02
IUPAC Name[(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride
SMILESC[C@H]([NH3+])/C=C/S(N)(=O)=O.[Cl-]
InChIInChI=1S/C4H10N2O2S.ClH/c1-4(5)2-3-9(6,7)8;/h2-4H,5H2,1H3,(H2,6,7,8);1H/b3-2+;/t4-;/m0./s1
InChIKeyGNAHIGPJRLXKKZ-XMFKBHDTSA-N
XLogP-4.58
TPSA87.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 5-4.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethylbut-3-ene-1-sulfonamide
CID 130725638
N-prop-2-enylbut-3-ene-1-sulfonamide
CID 84480039
Ethyl (1E,3S)-3-amino-1-butene-1-sulfonate
CID 10822578
(E)-3-aminobut-1-ene-1-sulfonic acid
CID 14780635
N-ethylbut-1-ene-1-sulfonamide
CID 57201047
(E)-3-methyl-N-propan-2-ylbut-1-ene-1-sulfonamide
CID 59848450
2-Aminopent-4-ene-1-sulfonamide
CID 87987680
(E)-N-ethylbut-1-ene-1-sulfonamide
CID 89021419
5-Methylsulfonylpent-1-en-3-amine;hydrochloride
CID 90035370
N-but-3-en-2-ylmethanesulfonamide
CID 90248426
N-ethylbut-3-ene-2-sulfonamide
CID 121422787
N-prop-2-enylethenesulfonamide;hydrochloride
CID 122513524

Frequently Asked Questions

What is the IUPAC name of [(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride?
The IUPAC name of [(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride (CID 10821425) is [(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride.
What is the SMILES notation for [(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride?
The canonical SMILES for [(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride is C[C@H]([NH3+])/C=C/S(N)(=O)=O.[Cl-].
What is the InChIKey of [(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride?
The InChIKey is GNAHIGPJRLXKKZ-XMFKBHDTSA-N. The full InChI is InChI=1S/C4H10N2O2S.ClH/c1-4(5)2-3-9(6,7)8;/h2-4H,5H2,1H3,(H2,6,7,8);1H/b3-2+;/t4-;/m0./s1.
What are the key properties of [(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride?
[(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride has a molecular weight of 186.66 g/mol, XLogP of -4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride is sourced from PubChem (CID 10821425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).