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

C11H19NO4S — CID 67068330

IUPAC4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(NS(=O)(=O)C2CC2)CC1C(=O)O
InChIInChI=1S/C11H19NO4S/c1-2-7-5-8(6-10(7)11(13)14)12-17(15,16)9-3-4-9/h7-10,12H,2-6H2,1H3,(H,13,14)
InChIKeyGUGHDPDCJRWOTN-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.96
Rot. Bonds5

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

4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid (PubChem CID 67068330) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
PubChem CID67068330
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(NS(=O)(=O)C2CC2)CC1C(=O)O
InChIInChI=1S/C11H19NO4S/c1-2-7-5-8(6-10(7)11(13)14)12-17(15,16)9-3-4-9/h7-10,12H,2-6H2,1H3,(H,13,14)
InChIKeyGUGHDPDCJRWOTN-UHFFFAOYSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid (CID 67068330) is 4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid is CCC1CC(NS(=O)(=O)C2CC2)CC1C(=O)O.
What is the InChIKey of 4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid?
The InChIKey is GUGHDPDCJRWOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-2-7-5-8(6-10(7)11(13)14)12-17(15,16)9-3-4-9/h7-10,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid?
4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 67068330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).