methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate

C10H19N3O3S2 — CID 74041469

IUPACmethyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate
SMILESCSC(C)=NOC(=O)N(C)SN(C)C(=O)C(C)C
InChIInChI=1S/C10H19N3O3S2/c1-7(2)9(14)12(4)18-13(5)10(15)16-11-8(3)17-6/h7H,1-6H3
InChIKeyLBEMSBZZHOMUGM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.43
Rot. Bonds4

About methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate

methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate (PubChem CID 74041469) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate.

Molecular Properties

Compound Namemethyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate
PubChem CID74041469
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC Namemethyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate
SMILESCSC(C)=NOC(=O)N(C)SN(C)C(=O)C(C)C
InChIInChI=1S/C10H19N3O3S2/c1-7(2)9(14)12(4)18-13(5)10(15)16-11-8(3)17-6/h7H,1-6H3
InChIKeyLBEMSBZZHOMUGM-UHFFFAOYSA-N
XLogP2.43
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate?
The IUPAC name of methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate (CID 74041469) is methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate.
What is the SMILES notation for methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate?
The canonical SMILES for methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate is CSC(C)=NOC(=O)N(C)SN(C)C(=O)C(C)C.
What is the InChIKey of methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate?
The InChIKey is LBEMSBZZHOMUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-7(2)9(14)12(4)18-13(5)10(15)16-11-8(3)17-6/h7H,1-6H3.
What are the key properties of methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate?
methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate has a molecular weight of 293.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[methyl-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl]oxyethanimidothioate is sourced from PubChem (CID 74041469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).