methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate

C10H18N4O5S3 — CID 6510008

IUPACmethyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate
SMILESCS/C(C)=N\OC(=O)N(C)S(=O)N(C)C(=O)O/N=C(/C)SC
InChIInChI=1S/C10H18N4O5S3/c1-7(20-5)11-18-9(15)13(3)22(17)14(4)10(16)19-12-8(2)21-6/h1-6H3/b11-7-,12-8-
InChIKeyZSLFVRSLQPRVSN-OXAWKVHCSA-N
MW370.48 g/mol
LogP2.09
Rot. Bonds4

About methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate

methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate (PubChem CID 6510008) has the molecular formula C10H18N4O5S3 and a molecular weight of 370.48 g/mol. Its IUPAC name is methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate.

Molecular Properties

Compound Namemethyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate
PubChem CID6510008
Molecular FormulaC10H18N4O5S3
Molecular Weight370.48 g/mol
Exact Mass370.04
IUPAC Namemethyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate
SMILESCS/C(C)=N\OC(=O)N(C)S(=O)N(C)C(=O)O/N=C(/C)SC
InChIInChI=1S/C10H18N4O5S3/c1-7(20-5)11-18-9(15)13(3)22(17)14(4)10(16)19-12-8(2)21-6/h1-6H3/b11-7-,12-8-
InChIKeyZSLFVRSLQPRVSN-OXAWKVHCSA-N
XLogP2.09
TPSA100.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate?
The IUPAC name of methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate (CID 6510008) is methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate.
What is the SMILES notation for methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate?
The canonical SMILES for methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate is CS/C(C)=N\OC(=O)N(C)S(=O)N(C)C(=O)O/N=C(/C)SC.
What is the InChIKey of methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate?
The InChIKey is ZSLFVRSLQPRVSN-OXAWKVHCSA-N. The full InChI is InChI=1S/C10H18N4O5S3/c1-7(20-5)11-18-9(15)13(3)22(17)14(4)10(16)19-12-8(2)21-6/h1-6H3/b11-7-,12-8-.
What are the key properties of methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate?
methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate has a molecular weight of 370.48 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate is sourced from PubChem (CID 6510008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).