1-(carbamoylamino)ethanesulfinic acid

C3H8N2O3S — CID 141204659

IUPAC1-(carbamoylamino)ethanesulfinic acid
SMILESCC(NC(N)=O)S(=O)O
InChIInChI=1S/C3H8N2O3S/c1-2(9(7)8)5-3(4)6/h2H,1H3,(H,7,8)(H3,4,5,6)
InChIKeyADQCZUBBSDLJTN-UHFFFAOYSA-N
MW152.18 g/mol
LogP-0.78
Rot. Bonds2

About 1-(carbamoylamino)ethanesulfinic acid

1-(carbamoylamino)ethanesulfinic acid (PubChem CID 141204659) has the molecular formula C3H8N2O3S and a molecular weight of 152.18 g/mol. Its IUPAC name is 1-(carbamoylamino)ethanesulfinic acid.

Molecular Properties

Compound Name1-(carbamoylamino)ethanesulfinic acid
PubChem CID141204659
Molecular FormulaC3H8N2O3S
Molecular Weight152.18 g/mol
Exact Mass152.03
IUPAC Name1-(carbamoylamino)ethanesulfinic acid
SMILESCC(NC(N)=O)S(=O)O
InChIInChI=1S/C3H8N2O3S/c1-2(9(7)8)5-3(4)6/h2H,1H3,(H,7,8)(H3,4,5,6)
InChIKeyADQCZUBBSDLJTN-UHFFFAOYSA-N
XLogP-0.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
1-(dimethylamino)ethylurea
CID 169101887
1-sulfanylpropan-2-ylurea
CID 89224596
1-cyanoethylurea
CID 61124202
dichloromethylurea
CID 23083847
(4,4-dimethyl-3-oxopentan-2-yl)urea
CID 58728668
[(2R)-1-(carbamoylamino)propan-2-yl]urea
CID 3246036
(2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate
CID 7023135
1-dimethoxysilylethylurea
CID 154078118
[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
CID 91973991
1-ethenoxyethylurea
CID 19078685
1,2-dichloropropane-1-sulfinic acid
CID 174269060

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)ethanesulfinic acid?
The IUPAC name of 1-(carbamoylamino)ethanesulfinic acid (CID 141204659) is 1-(carbamoylamino)ethanesulfinic acid.
What is the SMILES notation for 1-(carbamoylamino)ethanesulfinic acid?
The canonical SMILES for 1-(carbamoylamino)ethanesulfinic acid is CC(NC(N)=O)S(=O)O.
What is the InChIKey of 1-(carbamoylamino)ethanesulfinic acid?
The InChIKey is ADQCZUBBSDLJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O3S/c1-2(9(7)8)5-3(4)6/h2H,1H3,(H,7,8)(H3,4,5,6).
What are the key properties of 1-(carbamoylamino)ethanesulfinic acid?
1-(carbamoylamino)ethanesulfinic acid has a molecular weight of 152.18 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)ethanesulfinic acid is sourced from PubChem (CID 141204659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).