1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid

C12H16N2O4S — CID 113309102

IUPAC1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2cccnc2)CCCC1
InChIInChI=1S/C12H16N2O4S/c15-11(16)12(5-1-2-6-12)9-14-19(17,18)10-4-3-7-13-8-10/h3-4,7-8,14H,1-2,5-6,9H2,(H,15,16)
InChIKeyKLDXLFMSRHAQRU-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.00
Rot. Bonds5

About 1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid

1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309102) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID113309102
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2cccnc2)CCCC1
InChIInChI=1S/C12H16N2O4S/c15-11(16)12(5-1-2-6-12)9-14-19(17,18)10-4-3-7-13-8-10/h3-4,7-8,14H,1-2,5-6,9H2,(H,15,16)
InChIKeyKLDXLFMSRHAQRU-UHFFFAOYSA-N
XLogP1.00
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
1-[[(4-iodophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311052
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312114
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]pyridine-3-sulfonamide
CID 90581181
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311056
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436939
1-methyl-2-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 83214671
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040

Frequently Asked Questions

What is the IUPAC name of 1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid (CID 113309102) is 1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)c2cccnc2)CCCC1.
What is the InChIKey of 1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is KLDXLFMSRHAQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-11(16)12(5-1-2-6-12)9-14-19(17,18)10-4-3-7-13-8-10/h3-4,7-8,14H,1-2,5-6,9H2,(H,15,16).
What are the key properties of 1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).