2-(sulfinoamino)prop-2-enoic acid

C3H5NO4S — CID 91135550

IUPAC2-(sulfinoamino)prop-2-enoic acid
SMILESC=C(NS(=O)O)C(=O)O
InChIInChI=1S/C3H5NO4S/c1-2(3(5)6)4-9(7)8/h4H,1H2,(H,5,6)(H,7,8)
InChIKeyCVPYYLKXNJLSTM-UHFFFAOYSA-N
MW151.14 g/mol
LogP-0.69
Rot. Bonds3

About 2-(sulfinoamino)prop-2-enoic acid

2-(sulfinoamino)prop-2-enoic acid (PubChem CID 91135550) has the molecular formula C3H5NO4S and a molecular weight of 151.14 g/mol. Its IUPAC name is 2-(sulfinoamino)prop-2-enoic acid.

Molecular Properties

Compound Name2-(sulfinoamino)prop-2-enoic acid
PubChem CID91135550
Molecular FormulaC3H5NO4S
Molecular Weight151.14 g/mol
Exact Mass150.99
IUPAC Name2-(sulfinoamino)prop-2-enoic acid
SMILESC=C(NS(=O)O)C(=O)O
InChIInChI=1S/C3H5NO4S/c1-2(3(5)6)4-9(7)8/h4H,1H2,(H,5,6)(H,7,8)
InChIKeyCVPYYLKXNJLSTM-UHFFFAOYSA-N
XLogP-0.69
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylidenepropanedioic acid;hydrate
CID 158875494
1-hydroxyethenesulfinic acid
CID 58122076
2-(phosphanylamino)prop-2-enoic acid
CID 135183318
2,2-dimethyl-1-oxo-1-(sulfinoamino)propane
CID 57033719
2-sulfinooxyprop-2-enoic acid
CID 57470506
ethane;hydrogen sulfite;2-methylprop-2-enoic acid
CID 174520985
2-(methoxyamino)prop-2-enoic acid
CID 56613319
carbonic acid;sulfane;sulfurous acid
CID 88746188
azane;2-hydroxyprop-2-enoic acid
CID 158386305
2-(sulfinoamino)but-2-ene
CID 175142268
(3E)-4-(sulfinoamino)penta-1,3-diene
CID 156566229
(sulfinoamino)ethene
CID 19593362

Frequently Asked Questions

What is the IUPAC name of 2-(sulfinoamino)prop-2-enoic acid?
The IUPAC name of 2-(sulfinoamino)prop-2-enoic acid (CID 91135550) is 2-(sulfinoamino)prop-2-enoic acid.
What is the SMILES notation for 2-(sulfinoamino)prop-2-enoic acid?
The canonical SMILES for 2-(sulfinoamino)prop-2-enoic acid is C=C(NS(=O)O)C(=O)O.
What is the InChIKey of 2-(sulfinoamino)prop-2-enoic acid?
The InChIKey is CVPYYLKXNJLSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO4S/c1-2(3(5)6)4-9(7)8/h4H,1H2,(H,5,6)(H,7,8).
What are the key properties of 2-(sulfinoamino)prop-2-enoic acid?
2-(sulfinoamino)prop-2-enoic acid has a molecular weight of 151.14 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinoamino)prop-2-enoic acid is sourced from PubChem (CID 91135550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).