1-aminosulfanyl-3-carbamoylurea

C2H6N4O2S — CID 87475269

IUPAC1-aminosulfanyl-3-carbamoylurea
SMILESNSNC(=O)NC(N)=O
InChIInChI=1S/C2H6N4O2S/c3-1(7)5-2(8)6-9-4/h4H2,(H4,3,5,6,7,8)
InChIKeyOVLHEAFOVGSMQG-UHFFFAOYSA-N
MW150.16 g/mol
LogP-1.11
Rot. Bonds1

About 1-aminosulfanyl-3-carbamoylurea

1-aminosulfanyl-3-carbamoylurea (PubChem CID 87475269) has the molecular formula C2H6N4O2S and a molecular weight of 150.16 g/mol. Its IUPAC name is 1-aminosulfanyl-3-carbamoylurea.

Molecular Properties

Compound Name1-aminosulfanyl-3-carbamoylurea
PubChem CID87475269
Molecular FormulaC2H6N4O2S
Molecular Weight150.16 g/mol
Exact Mass150.02
IUPAC Name1-aminosulfanyl-3-carbamoylurea
SMILESNSNC(=O)NC(N)=O
InChIInChI=1S/C2H6N4O2S/c3-1(7)5-2(8)6-9-4/h4H2,(H4,3,5,6,7,8)
InChIKeyOVLHEAFOVGSMQG-UHFFFAOYSA-N
XLogP-1.11
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-aminosulfanyl-3-carbamoylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbamothioyl-3-carbamoylurea
CID 57033303
N-(carbamoylcarbamoyl)carbamoyl fluoride
CID 22166147
sodium;1-bromo-3-carbamoylurea;hydride
CID 174408388
1-carbamoyl-3-(dihydroxyamino)urea
CID 3930640
carbamoylurea;copper;thiourea
CID 175029091
CID 118590953
CID 118590953
carbamoylcarbamic acid;carbamoylurea
CID 15920414
carbamoylurea;fluoroform
CID 174631914
CID 174966153
CID 174966153
N-carbamoylcarbamoyl chloride;carbamoyl chloride
CID 170170459
[(carbamoylamino)trisulfanyl]urea
CID 154440515
carbamoylcarbamic acid;formonitrile
CID 174795487

Frequently Asked Questions

What is the IUPAC name of 1-aminosulfanyl-3-carbamoylurea?
The IUPAC name of 1-aminosulfanyl-3-carbamoylurea (CID 87475269) is 1-aminosulfanyl-3-carbamoylurea.
What is the SMILES notation for 1-aminosulfanyl-3-carbamoylurea?
The canonical SMILES for 1-aminosulfanyl-3-carbamoylurea is NSNC(=O)NC(N)=O.
What is the InChIKey of 1-aminosulfanyl-3-carbamoylurea?
The InChIKey is OVLHEAFOVGSMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4O2S/c3-1(7)5-2(8)6-9-4/h4H2,(H4,3,5,6,7,8).
What are the key properties of 1-aminosulfanyl-3-carbamoylurea?
1-aminosulfanyl-3-carbamoylurea has a molecular weight of 150.16 g/mol, XLogP of -1.11, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminosulfanyl-3-carbamoylurea is sourced from PubChem (CID 87475269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).