2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid

C14H25NO4S — CID 103343075

IUPAC2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCCC1CCCN(S(=O)(=O)C2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H25NO4S/c1-2-11-5-4-9-15(10-8-11)20(18,19)13-7-3-6-12(13)14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyMGSWSSAOLDHOPO-UHFFFAOYSA-N
MW303.42 g/mol
LogP2.08
Rot. Bonds4

About 2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid

2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid (PubChem CID 103343075) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid
PubChem CID103343075
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCCC1CCCN(S(=O)(=O)C2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H25NO4S/c1-2-11-5-4-9-15(10-8-11)20(18,19)13-7-3-6-12(13)14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyMGSWSSAOLDHOPO-UHFFFAOYSA-N
XLogP2.08
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 106586198
2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343565
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid
CID 107215368
2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid
CID 80995975
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342838
2-ethylsulfonylcyclohexane-1-carboxylic acid
CID 165462105
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907136
2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342291
2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 103342466
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052
methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
CID 106835677

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid (CID 103343075) is 2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid is CCC1CCCN(S(=O)(=O)C2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is MGSWSSAOLDHOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-2-11-5-4-9-15(10-8-11)20(18,19)13-7-3-6-12(13)14(16)17/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid?
2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 303.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).