1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide

C10H14N2O3S2 — CID 63166290

IUPAC1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
SMILESNC(=O)C1(NCc2cccs2)CCS(=O)(=O)C1
InChIInChI=1S/C10H14N2O3S2/c11-9(13)10(3-5-17(14,15)7-10)12-6-8-2-1-4-16-8/h1-2,4,12H,3,5-7H2,(H2,11,13)
InChIKeyVHBAQMZUFSGVAD-UHFFFAOYSA-N
MW274.37 g/mol
LogP-0.12
Rot. Bonds4

About 1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide

1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide (PubChem CID 63166290) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
PubChem CID63166290
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
SMILESNC(=O)C1(NCc2cccs2)CCS(=O)(=O)C1
InChIInChI=1S/C10H14N2O3S2/c11-9(13)10(3-5-17(14,15)7-10)12-6-8-2-1-4-16-8/h1-2,4,12H,3,5-7H2,(H2,11,13)
InChIKeyVHBAQMZUFSGVAD-UHFFFAOYSA-N
XLogP-0.12
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxylic acid
CID 63166251
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800
3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 103563331
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 65085259
8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid
CID 114818394
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477
3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891663
4-(thiophen-2-ylmethylamino)thiane-4-carboxylic acid
CID 61319221

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide (CID 63166290) is 1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide is NC(=O)C1(NCc2cccs2)CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide?
The InChIKey is VHBAQMZUFSGVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c11-9(13)10(3-5-17(14,15)7-10)12-6-8-2-1-4-16-8/h1-2,4,12H,3,5-7H2,(H2,11,13).
What are the key properties of 1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide?
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide is sourced from PubChem (CID 63166290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).