2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide

C7H14N2O3S — CID 130713912

IUPAC2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide
SMILESCNC1(C(N)=O)CCS(=O)(=O)C1C
InChIInChI=1S/C7H14N2O3S/c1-5-7(9-2,6(8)10)3-4-13(5,11)12/h5,9H,3-4H2,1-2H3,(H2,8,10)
InChIKeyMXLRIGRDBWXERH-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.36
Rot. Bonds2

About 2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide

2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide (PubChem CID 130713912) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide
PubChem CID130713912
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide
SMILESCNC1(C(N)=O)CCS(=O)(=O)C1C
InChIInChI=1S/C7H14N2O3S/c1-5-7(9-2,6(8)10)3-4-13(5,11)12/h5,9H,3-4H2,1-2H3,(H2,8,10)
InChIKeyMXLRIGRDBWXERH-UHFFFAOYSA-N
XLogP-1.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of 2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide (CID 130713912) is 2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for 2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide is CNC1(C(N)=O)CCS(=O)(=O)C1C.
What is the InChIKey of 2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is MXLRIGRDBWXERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-5-7(9-2,6(8)10)3-4-13(5,11)12/h5,9H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of 2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide?
2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 206.27 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 130713912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).