[2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate

C6H11N3O2S2 — CID 9373245

IUPAC[2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCC(=O)NC(N)=O
InChIInChI=1S/C6H11N3O2S2/c1-9(2)6(12)13-3-4(10)8-5(7)11/h3H2,1-2H3,(H3,7,8,10,11)
InChIKeyHPPHIKJZPGCZNQ-UHFFFAOYSA-N
MW221.31 g/mol
LogP-0.24
Rot. Bonds2

About [2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate

[2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate (PubChem CID 9373245) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
PubChem CID9373245
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCC(=O)NC(N)=O
InChIInChI=1S/C6H11N3O2S2/c1-9(2)6(12)13-3-4(10)8-5(7)11/h3H2,1-2H3,(H3,7,8,10,11)
InChIKeyHPPHIKJZPGCZNQ-UHFFFAOYSA-N
XLogP-0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate (CID 9373245) is [2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate is CN(C)C(=S)SCC(=O)NC(N)=O.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The InChIKey is HPPHIKJZPGCZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-9(2)6(12)13-3-4(10)8-5(7)11/h3H2,1-2H3,(H3,7,8,10,11).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
[2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate has a molecular weight of 221.31 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 9373245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).