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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Related Compounds

1-(1-imino-1-oxothiolan-3-yl)-1-methyl-3-propan-2-ylurea
CID 165498116
N-(1,1-dioxothiolan-3-yl)-2-(2-hydroxyethoxy)-N-methylacetamide
CID 110678224
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 7259865
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide
CID 70917042
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7727165
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 7090839
2-methoxy-N-[4-[4-[(2-methoxyacetyl)-methylamino]cyclohexyl]cyclohexyl]acetamide
CID 91259194
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethylphenoxy)-N-methylacetamide
CID 2317878

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).