4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid

C13H25NO4S — CID 58557810

IUPAC4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(CS(=O)(=O)N(CC)CC)CC1C(=O)O
InChIInChI=1S/C13H25NO4S/c1-4-11-7-10(8-12(11)13(15)16)9-19(17,18)14(5-2)6-3/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyXYYDRGSNAKBCPM-UHFFFAOYSA-N
MW291.41 g/mol
LogP1.79
Rot. Bonds7

About 4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid

4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid (PubChem CID 58557810) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is 4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid
PubChem CID58557810
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Name4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(CS(=O)(=O)N(CC)CC)CC1C(=O)O
InChIInChI=1S/C13H25NO4S/c1-4-11-7-10(8-12(11)13(15)16)9-19(17,18)14(5-2)6-3/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyXYYDRGSNAKBCPM-UHFFFAOYSA-N
XLogP1.79
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid
CID 123502426
1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide
CID 115024927
(1S,2R,4S)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 58010069
(1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 67998853
2-ethylsulfonylcyclopropane-1-carboxylic acid
CID 102549962
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid
CID 58557815
4-ethyl-2-(3-ethylsulfonylpropyl)cyclohexane-1-carboxylic acid
CID 81021131
2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511258
methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate
CID 54998272
2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511610
4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512018

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid (CID 58557810) is 4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid is CCC1CC(CS(=O)(=O)N(CC)CC)CC1C(=O)O.
What is the InChIKey of 4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid?
The InChIKey is XYYDRGSNAKBCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-4-11-7-10(8-12(11)13(15)16)9-19(17,18)14(5-2)6-3/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid?
4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid has a molecular weight of 291.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 58557810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).