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

C5H11NO2S — CID 2736805

IUPACN-methyl-1,1-dioxothiolan-3-amine
SMILESCNC1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c1-6-5-2-3-9(7,8)4-5/h5-6H,2-4H2,1H3
InChIKeyMGNJNMNVFHVRHJ-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.61
Rot. Bonds1

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

N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 2736805) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxothiolan-3-amine
PubChem CID2736805
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC NameN-methyl-1,1-dioxothiolan-3-amine
SMILESCNC1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c1-6-5-2-3-9(7,8)4-5/h5-6H,2-4H2,1H3
InChIKeyMGNJNMNVFHVRHJ-UHFFFAOYSA-N
XLogP-0.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-methyl-1,1-dioxothiolan-3-amine (CID 2736805) is N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-methyl-1,1-dioxothiolan-3-amine is CNC1CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is MGNJNMNVFHVRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6-5-2-3-9(7,8)4-5/h5-6H,2-4H2,1H3.
What are the key properties of N-methyl-1,1-dioxothiolan-3-amine?
N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 149.21 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 2736805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).