1-(carbamoylamino)sulfanyl-1-methylurea

C3H8N4O2S — CID 151656963

IUPAC1-(carbamoylamino)sulfanyl-1-methylurea
SMILESCN(SNC(N)=O)C(N)=O
InChIInChI=1S/C3H8N4O2S/c1-7(3(5)9)10-6-2(4)8/h1H3,(H2,5,9)(H3,4,6,8)
InChIKeyQVSAMKSVKZXRAK-UHFFFAOYSA-N
MW164.19 g/mol
LogP-0.77
Rot. Bonds2

About 1-(carbamoylamino)sulfanyl-1-methylurea

1-(carbamoylamino)sulfanyl-1-methylurea (PubChem CID 151656963) has the molecular formula C3H8N4O2S and a molecular weight of 164.19 g/mol. Its IUPAC name is 1-(carbamoylamino)sulfanyl-1-methylurea.

Molecular Properties

Compound Name1-(carbamoylamino)sulfanyl-1-methylurea
PubChem CID151656963
Molecular FormulaC3H8N4O2S
Molecular Weight164.19 g/mol
Exact Mass164.04
IUPAC Name1-(carbamoylamino)sulfanyl-1-methylurea
SMILESCN(SNC(N)=O)C(N)=O
InChIInChI=1S/C3H8N4O2S/c1-7(3(5)9)10-6-2(4)8/h1H3,(H2,5,9)(H3,4,6,8)
InChIKeyQVSAMKSVKZXRAK-UHFFFAOYSA-N
XLogP-0.77
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)propylsulfanylurea
CID 174340233
[(carbamoylamino)trisulfanyl]urea
CID 154440515
aminosulfanyl(methyl)carbamic acid
CID 21481452
CID 173237266
CID 173237266
carbamic acid;N,N-dimethylmethanamine
CID 173358065
1-aminosulfanyl-3-carbamoylurea
CID 87475269
1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea
CID 87475337
methylurea;ruthenium
CID 159209634
hydrazine;methylurea
CID 158581810
methylurea;hydrate
CID 141425619
1,1-diaminourea;ethane
CID 174870185
1-(carbamothioylamino)-1-methylurea
CID 20832097

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)sulfanyl-1-methylurea?
The IUPAC name of 1-(carbamoylamino)sulfanyl-1-methylurea (CID 151656963) is 1-(carbamoylamino)sulfanyl-1-methylurea.
What is the SMILES notation for 1-(carbamoylamino)sulfanyl-1-methylurea?
The canonical SMILES for 1-(carbamoylamino)sulfanyl-1-methylurea is CN(SNC(N)=O)C(N)=O.
What is the InChIKey of 1-(carbamoylamino)sulfanyl-1-methylurea?
The InChIKey is QVSAMKSVKZXRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O2S/c1-7(3(5)9)10-6-2(4)8/h1H3,(H2,5,9)(H3,4,6,8).
What are the key properties of 1-(carbamoylamino)sulfanyl-1-methylurea?
1-(carbamoylamino)sulfanyl-1-methylurea has a molecular weight of 164.19 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)sulfanyl-1-methylurea is sourced from PubChem (CID 151656963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).