ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid

C11H24N2O4S — CID 162751325

IUPACethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid
SMILESCC.CNCCS(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C9H18N2O4S.C2H6/c1-10-4-5-16(14,15)11-8-3-2-7(6-8)9(12)13;1-2/h7-8,10-11H,2-6H2,1H3,(H,12,13);1-2H3
InChIKeyRKKFPUWZZCEABG-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.40
Rot. Bonds6

About ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid

ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 162751325) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID162751325
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Nameethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid
SMILESCC.CNCCS(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C9H18N2O4S.C2H6/c1-10-4-5-16(14,15)11-8-3-2-7(6-8)9(12)13;1-2/h7-8,10-11H,2-6H2,1H3,(H,12,13);1-2H3
InChIKeyRKKFPUWZZCEABG-UHFFFAOYSA-N
XLogP0.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid (CID 162751325) is ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid is CC.CNCCS(=O)(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RKKFPUWZZCEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S.C2H6/c1-10-4-5-16(14,15)11-8-3-2-7(6-8)9(12)13;1-2/h7-8,10-11H,2-6H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid?
ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 280.39 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 162751325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).