5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid

C10H15NO4S — CID 103062485

IUPAC5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCSC2)O1
InChIInChI=1S/C10H15NO4S/c12-9(11-6-3-4-16-5-6)7-1-2-8(15-7)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChIKeyFSITYEBBGITRFU-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.24
Rot. Bonds3

About 5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid

5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 103062485) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID103062485
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCSC2)O1
InChIInChI=1S/C10H15NO4S/c12-9(11-6-3-4-16-5-6)7-1-2-8(15-7)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChIKeyFSITYEBBGITRFU-UHFFFAOYSA-N
XLogP0.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
CID 102944337
5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
CID 103063003
5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688687
2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103062497
5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688889
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid
CID 102689083
4-(thiolan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103064077
5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687897
5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid
CID 102687991
5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688444
3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103064106

Frequently Asked Questions

What is the IUPAC name of 5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid (CID 103062485) is 5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCSC2)O1.
What is the InChIKey of 5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is FSITYEBBGITRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c12-9(11-6-3-4-16-5-6)7-1-2-8(15-7)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14).
What are the key properties of 5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid?
5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 245.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 103062485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).