[(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate

C7H15N3O3S — CID 140512004

IUPAC[(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)O/N=S(\C)CC(N)=O
InChIInChI=1S/C7H15N3O3S/c1-4-10(2)7(12)13-9-14(3)5-6(8)11/h4-5H2,1-3H3,(H2,8,11)
InChIKeyFNPWTNNIUKPWOF-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.09
Rot. Bonds4

About [(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate

[(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate (PubChem CID 140512004) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is [(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate
PubChem CID140512004
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name[(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)O/N=S(\C)CC(N)=O
InChIInChI=1S/C7H15N3O3S/c1-4-10(2)7(12)13-9-14(3)5-6(8)11/h4-5H2,1-3H3,(H2,8,11)
InChIKeyFNPWTNNIUKPWOF-UHFFFAOYSA-N
XLogP-0.09
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate?
The IUPAC name of [(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate (CID 140512004) is [(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate?
The canonical SMILES for [(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate is CCN(C)C(=O)O/N=S(\C)CC(N)=O.
What is the InChIKey of [(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate?
The InChIKey is FNPWTNNIUKPWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c1-4-10(2)7(12)13-9-14(3)5-6(8)11/h4-5H2,1-3H3,(H2,8,11).
What are the key properties of [(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate?
[(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate has a molecular weight of 221.28 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2-amino-2-oxoethyl)-methyl-λ4-sulfanylidene]amino] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 140512004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).