2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid

C10H17NO6S2 — CID 64817591

IUPAC2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO6S2/c12-10(13)8-2-1-3-9(8)11-19(16,17)7-4-5-18(14,15)6-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyHPXRQFYSSYLTDI-UHFFFAOYSA-N
MW311.38 g/mol
LogP-0.65
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid

2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 64817591) has the molecular formula C10H17NO6S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID64817591
Molecular FormulaC10H17NO6S2
Molecular Weight311.38 g/mol
Exact Mass311.05
IUPAC Name2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO6S2/c12-10(13)8-2-1-3-9(8)11-19(16,17)7-4-5-18(14,15)6-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyHPXRQFYSSYLTDI-UHFFFAOYSA-N
XLogP-0.65
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 64817591) is 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1NS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is HPXRQFYSSYLTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6S2/c12-10(13)8-2-1-3-9(8)11-19(16,17)7-4-5-18(14,15)6-7/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).