1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid

C12H22N2O4S — CID 113309107

IUPAC1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)N2CCCCC2)CCCC1
InChIInChI=1S/C12H22N2O4S/c15-11(16)12(6-2-3-7-12)10-13-19(17,18)14-8-4-1-5-9-14/h13H,1-10H2,(H,15,16)
InChIKeyTYPFLSFYUYTZKS-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.95
Rot. Bonds5

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

1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309107) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID113309107
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)N2CCCCC2)CCCC1
InChIInChI=1S/C12H22N2O4S/c15-11(16)12(6-2-3-7-12)10-13-19(17,18)14-8-4-1-5-9-14/h13H,1-10H2,(H,15,16)
InChIKeyTYPFLSFYUYTZKS-UHFFFAOYSA-N
XLogP0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312118
4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid
CID 115438600
N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
CID 115362877
1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114806899
3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]oxane-3-carboxylic acid
CID 166264552
1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445369
1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide
CID 115365086
1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114806880
N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide
CID 81130828
1-(piperidin-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164218

Frequently Asked Questions

What is the IUPAC name of 1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid (CID 113309107) is 1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)N2CCCCC2)CCCC1.
What is the InChIKey of 1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is TYPFLSFYUYTZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c15-11(16)12(6-2-3-7-12)10-13-19(17,18)14-8-4-1-5-9-14/h13H,1-10H2,(H,15,16).
What are the key properties of 1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).