2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid

C11H19NO6S2 — CID 64672752

IUPAC2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)C2CCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C11H19NO6S2/c13-10(14)7-11(4-1-2-5-11)12-20(17,18)9-3-6-19(15,16)8-9/h9,12H,1-8H2,(H,13,14)
InChIKeyMLQCEMPWVKCDNK-UHFFFAOYSA-N
MW325.41 g/mol
LogP-0.12
Rot. Bonds5

About 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid

2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid (PubChem CID 64672752) has the molecular formula C11H19NO6S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid
PubChem CID64672752
Molecular FormulaC11H19NO6S2
Molecular Weight325.41 g/mol
Exact Mass325.07
IUPAC Name2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)C2CCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C11H19NO6S2/c13-10(14)7-11(4-1-2-5-11)12-20(17,18)9-3-6-19(15,16)8-9/h9,12H,1-8H2,(H,13,14)
InChIKeyMLQCEMPWVKCDNK-UHFFFAOYSA-N
XLogP-0.12
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid
CID 65444128
1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312092
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79845778
(3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide
CID 51415857
(2S)-2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61145252
methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate
CID 107776619
N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide
CID 63765461
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003745
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid
CID 80522088

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid (CID 64672752) is 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid is O=C(O)CC1(NS(=O)(=O)C2CCS(=O)(=O)C2)CCCC1.
What is the InChIKey of 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid?
The InChIKey is MLQCEMPWVKCDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S2/c13-10(14)7-11(4-1-2-5-11)12-20(17,18)9-3-6-19(15,16)8-9/h9,12H,1-8H2,(H,13,14).
What are the key properties of 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid?
2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid has a molecular weight of 325.41 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64672752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).