[(carbamoylamino)trisulfanyl]urea

C2H6N4O2S3 — CID 154440515

IUPAC[(carbamoylamino)trisulfanyl]urea
SMILESNC(=O)NSSSNC(N)=O
InChIInChI=1S/C2H6N4O2S3/c3-1(7)5-9-11-10-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
InChIKeyGQYGKQUMHGFLTE-UHFFFAOYSA-N
MW214.30 g/mol
LogP0.18
Rot. Bonds4

About [(carbamoylamino)trisulfanyl]urea

[(carbamoylamino)trisulfanyl]urea (PubChem CID 154440515) has the molecular formula C2H6N4O2S3 and a molecular weight of 214.30 g/mol. Its IUPAC name is [(carbamoylamino)trisulfanyl]urea.

Molecular Properties

Compound Name[(carbamoylamino)trisulfanyl]urea
PubChem CID154440515
Molecular FormulaC2H6N4O2S3
Molecular Weight214.30 g/mol
Exact Mass213.97
IUPAC Name[(carbamoylamino)trisulfanyl]urea
SMILESNC(=O)NSSSNC(N)=O
InChIInChI=1S/C2H6N4O2S3/c3-1(7)5-9-11-10-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
InChIKeyGQYGKQUMHGFLTE-UHFFFAOYSA-N
XLogP0.18
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(carbamoylamino)trisulfanyl]urea 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

phenylsulfanylurea
CID 22219022
1-(carbamoylamino)sulfanyl-1-methylurea
CID 151656963
disulfanylsulfonylsulfanylurea
CID 174747571
1-aminosulfanyl-3-carbamoylurea
CID 87475269
(3,5-dimethoxyphenyl)sulfanylurea
CID 174699067
CID 173237266
CID 173237266
hydroxyurea;dihydrochloride
CID 175264488
3-methylbut-2-enylsulfanylurea
CID 174386122
(2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea
CID 174417066
(carbamoylamino) N-phenylcarbamodithioate
CID 174413845
(carbamoyloxytrisulfanyl) carbamate
CID 118197198
butylaminosulfanylurea
CID 174849545

Frequently Asked Questions

What is the IUPAC name of [(carbamoylamino)trisulfanyl]urea?
The IUPAC name of [(carbamoylamino)trisulfanyl]urea (CID 154440515) is [(carbamoylamino)trisulfanyl]urea.
What is the SMILES notation for [(carbamoylamino)trisulfanyl]urea?
The canonical SMILES for [(carbamoylamino)trisulfanyl]urea is NC(=O)NSSSNC(N)=O.
What is the InChIKey of [(carbamoylamino)trisulfanyl]urea?
The InChIKey is GQYGKQUMHGFLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4O2S3/c3-1(7)5-9-11-10-6-2(4)8/h(H3,3,5,7)(H3,4,6,8).
What are the key properties of [(carbamoylamino)trisulfanyl]urea?
[(carbamoylamino)trisulfanyl]urea has a molecular weight of 214.30 g/mol, XLogP of 0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(carbamoylamino)trisulfanyl]urea is sourced from PubChem (CID 154440515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).