1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid

C13H24N2O4S — CID 82763275

IUPAC1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)NC2CCCC2(C)C(=O)O)C1
InChIInChI=1S/C13H24N2O4S/c1-10-5-4-8-15(9-10)20(18,19)14-11-6-3-7-13(11,2)12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyXZAWJHYNMVEZLG-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.20
Rot. Bonds4

About 1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid

1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 82763275) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID82763275
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)NC2CCCC2(C)C(=O)O)C1
InChIInChI=1S/C13H24N2O4S/c1-10-5-4-8-15(9-10)20(18,19)14-11-6-3-7-13(11,2)12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyXZAWJHYNMVEZLG-UHFFFAOYSA-N
XLogP1.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82762598
2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762373
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 114173287
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
2-[(1,1-dioxothian-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763532
3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide
CID 114696743
methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate
CID 35322838
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 114179805
N-(5-azaspiro[3.5]nonan-8-yl)-3-methylpiperidine-1-sulfonamide
CID 43597934
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 82763275) is 1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid is CC1CCCN(S(=O)(=O)NC2CCCC2(C)C(=O)O)C1.
What is the InChIKey of 1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is XZAWJHYNMVEZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-10-5-4-8-15(9-10)20(18,19)14-11-6-3-7-13(11,2)12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 304.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).