N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide

C8H16N2O3S — CID 165498026

IUPACN-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide
SMILES[H]N=S1(=O)CCC(N(C)C(=O)COC)C1
InChIInChI=1S/C8H16N2O3S/c1-10(8(11)5-13-2)7-3-4-14(9,12)6-7/h7,9H,3-6H2,1-2H3
InChIKeyMGRNJWLHFJCMRK-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.09
Rot. Bonds3

About N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide

N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide (PubChem CID 165498026) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide
PubChem CID165498026
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide
SMILES[H]N=S1(=O)CCC(N(C)C(=O)COC)C1
InChIInChI=1S/C8H16N2O3S/c1-10(8(11)5-13-2)7-3-4-14(9,12)6-7/h7,9H,3-6H2,1-2H3
InChIKeyMGRNJWLHFJCMRK-UHFFFAOYSA-N
XLogP-0.09
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide?
The IUPAC name of N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide (CID 165498026) is N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide?
The canonical SMILES for N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide is [H]N=S1(=O)CCC(N(C)C(=O)COC)C1.
What is the InChIKey of N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide?
The InChIKey is MGRNJWLHFJCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-10(8(11)5-13-2)7-3-4-14(9,12)6-7/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide?
N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide has a molecular weight of 220.29 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imino-1-oxothiolan-3-yl)-2-methoxy-N-methylacetamide is sourced from PubChem (CID 165498026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).