N-ethyl-N-methyl-1,1-dioxothiolan-3-amine

C7H15NO2S — CID 67585653

IUPACN-ethyl-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-3-8(2)7-4-5-11(9,10)6-7/h7H,3-6H2,1-2H3
InChIKeyIOSUTXVJZAVQIA-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.13
Rot. Bonds2

About N-ethyl-N-methyl-1,1-dioxothiolan-3-amine

N-ethyl-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 67585653) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-ethyl-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID67585653
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-ethyl-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-3-8(2)7-4-5-11(9,10)6-7/h7H,3-6H2,1-2H3
InChIKeyIOSUTXVJZAVQIA-UHFFFAOYSA-N
XLogP0.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-ethyl-N-methyl-1,1-dioxothiolan-3-amine (CID 67585653) is N-ethyl-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-ethyl-N-methyl-1,1-dioxothiolan-3-amine is CCN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-ethyl-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is IOSUTXVJZAVQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-8(2)7-4-5-11(9,10)6-7/h7H,3-6H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-1,1-dioxothiolan-3-amine?
N-ethyl-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 177.27 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 67585653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).