methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate

C5H9N3O3S — CID 143800877

IUPACmethyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate
SMILESCOC(=O)/N=C(/NC(N)=O)SC
InChIInChI=1S/C5H9N3O3S/c1-11-5(10)8-4(12-2)7-3(6)9/h1-2H3,(H3,6,7,8,9,10)
InChIKeyPIBIUDNZWACMOL-UHFFFAOYSA-N
MW191.21 g/mol
LogP0.14
Rot. Bonds

About methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate

methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate (PubChem CID 143800877) has the molecular formula C5H9N3O3S and a molecular weight of 191.21 g/mol. Its IUPAC name is methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate.

Molecular Properties

Compound Namemethyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate
PubChem CID143800877
Molecular FormulaC5H9N3O3S
Molecular Weight191.21 g/mol
Exact Mass191.04
IUPAC Namemethyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate
SMILESCOC(=O)/N=C(/NC(N)=O)SC
InChIInChI=1S/C5H9N3O3S/c1-11-5(10)8-4(12-2)7-3(6)9/h1-2H3,(H3,6,7,8,9,10)
InChIKeyPIBIUDNZWACMOL-UHFFFAOYSA-N
XLogP0.14
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate?
The IUPAC name of methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate (CID 143800877) is methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate.
What is the SMILES notation for methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate?
The canonical SMILES for methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate is COC(=O)/N=C(/NC(N)=O)SC.
What is the InChIKey of methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate?
The InChIKey is PIBIUDNZWACMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3S/c1-11-5(10)8-4(12-2)7-3(6)9/h1-2H3,(H3,6,7,8,9,10).
What are the key properties of methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate?
methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate has a molecular weight of 191.21 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NZ)-N-[(carbamoylamino)-methylsulfanylmethylidene]carbamate is sourced from PubChem (CID 143800877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).