2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate

C10H18N2O6S — CID 87167636

IUPAC2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate
SMILESCOCCOC(=O)/N=C(/NC(=O)OCCOC)SC
InChIInChI=1S/C10H18N2O6S/c1-15-4-6-17-9(13)11-8(19-3)12-10(14)18-7-5-16-2/h4-7H2,1-3H3,(H,11,12,13,14)
InChIKeyNSMIUKABAYPXOC-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.86
Rot. Bonds6

About 2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate

2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate (PubChem CID 87167636) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate.

Molecular Properties

Compound Name2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate
PubChem CID87167636
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate
SMILESCOCCOC(=O)/N=C(/NC(=O)OCCOC)SC
InChIInChI=1S/C10H18N2O6S/c1-15-4-6-17-9(13)11-8(19-3)12-10(14)18-7-5-16-2/h4-7H2,1-3H3,(H,11,12,13,14)
InChIKeyNSMIUKABAYPXOC-UHFFFAOYSA-N
XLogP0.86
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate?
The IUPAC name of 2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate (CID 87167636) is 2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate.
What is the SMILES notation for 2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate?
The canonical SMILES for 2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate is COCCOC(=O)/N=C(/NC(=O)OCCOC)SC.
What is the InChIKey of 2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate?
The InChIKey is NSMIUKABAYPXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-15-4-6-17-9(13)11-8(19-3)12-10(14)18-7-5-16-2/h4-7H2,1-3H3,(H,11,12,13,14).
What are the key properties of 2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate?
2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate has a molecular weight of 294.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (NZ)-N-[(2-methoxyethoxycarbonylamino)-methylsulfanylmethylidene]carbamate is sourced from PubChem (CID 87167636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).