1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid

C10H17NO6S2 — CID 63030464

IUPAC1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H17NO6S2/c12-10(13)8-1-4-11(7-8)19(16,17)9-2-5-18(14,15)6-3-9/h8-9H,1-7H2,(H,12,13)
InChIKeyZOQSYLRCUGWKMN-UHFFFAOYSA-N
MW311.38 g/mol
LogP-0.70
Rot. Bonds3

About 1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid

1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 63030464) has the molecular formula C10H17NO6S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID63030464
Molecular FormulaC10H17NO6S2
Molecular Weight311.38 g/mol
Exact Mass311.05
IUPAC Name1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H17NO6S2/c12-10(13)8-1-4-11(7-8)19(16,17)9-2-5-18(14,15)6-3-9/h8-9H,1-7H2,(H,12,13)
InChIKeyZOQSYLRCUGWKMN-UHFFFAOYSA-N
XLogP-0.70
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 81126357
1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
CID 55150630
1-[4-(trifluoromethyl)cyclohexyl]sulfonylpyrrolidine-3-carboxylic acid
CID 122068417
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid
CID 60858617
(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
CID 94347275
1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
CID 55032348
(2S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 66263114
[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol
CID 62086020
1-(thian-4-ylsulfonyl)piperidine-3-carboxylic acid
CID 172500690
2-[1-(1,1-dioxothian-4-yl)sulfonylazetidin-3-yl]propanoic acid
CID 116681750
[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960902
4-[3-(2-bromoethyl)pyrrolidin-1-yl]sulfonylthiane 1,1-dioxide
CID 114801782

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 63030464) is 1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is ZOQSYLRCUGWKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6S2/c12-10(13)8-1-4-11(7-8)19(16,17)9-2-5-18(14,15)6-3-9/h8-9H,1-7H2,(H,12,13).
What are the key properties of 1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).