2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid

C13H24N2O5S — CID 107215368

IUPAC2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N1CCCN(CCO)CC1
InChIInChI=1S/C13H24N2O5S/c16-10-9-14-5-2-6-15(8-7-14)21(19,20)12-4-1-3-11(12)13(17)18/h11-12,16H,1-10H2,(H,17,18)
InChIKeyWTXLYGUEBQCOQL-UHFFFAOYSA-N
MW320.41 g/mol
LogP-0.43
Rot. Bonds5

About 2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid

2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid (PubChem CID 107215368) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid
PubChem CID107215368
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N1CCCN(CCO)CC1
InChIInChI=1S/C13H24N2O5S/c16-10-9-14-5-2-6-15(8-7-14)21(19,20)12-4-1-3-11(12)13(17)18/h11-12,16H,1-10H2,(H,17,18)
InChIKeyWTXLYGUEBQCOQL-UHFFFAOYSA-N
XLogP-0.43
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343075
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-chloroethylsulfonyl)-1,4-diazepan-1-yl]ethanol
CID 107652652
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
(2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 107223995
2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol
CID 63310144
2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid
CID 103343032
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343102
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
(2-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 64823507

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid (CID 107215368) is 2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1S(=O)(=O)N1CCCN(CCO)CC1.
What is the InChIKey of 2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid?
The InChIKey is WTXLYGUEBQCOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c16-10-9-14-5-2-6-15(8-7-14)21(19,20)12-4-1-3-11(12)13(17)18/h11-12,16H,1-10H2,(H,17,18).
What are the key properties of 2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid?
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107215368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).