3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid

C8H15NO4S — CID 66032739

IUPAC3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCCS(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C8H15NO4S/c1-2-14(12,13)9-7-4-3-6(5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyGJONRQDZXXZKML-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.18
Rot. Bonds4

About 3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid

3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 66032739) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID66032739
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCCS(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C8H15NO4S/c1-2-14(12,13)9-7-4-3-6(5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyGJONRQDZXXZKML-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
CID 106321503
3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032155
ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid
CID 162751325
N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 64748802
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 114173300
3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031561
3-[2-(propan-2-ylamino)ethylsulfonylamino]cyclohexane-1-carboxylic acid
CID 169177435
trans-(1S,3S)-3-ethylsulfonylcyclopentane-1-carboxylic acid
CID 99998180
N-(2-methyloxan-4-yl)ethanesulfonamide
CID 103887605

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid (CID 66032739) is 3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid is CCS(=O)(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is GJONRQDZXXZKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-2-14(12,13)9-7-4-3-6(5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid?
3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 221.28 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).