3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid

C12H22N2O4S — CID 63042575

IUPAC3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C12H22N2O4S/c15-12(16)10-5-4-6-11(9-10)13-19(17,18)14-7-2-1-3-8-14/h10-11,13H,1-9H2,(H,15,16)
InChIKeyDPPCWWPFCAPYAT-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.95
Rot. Bonds4

About 3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid

3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 63042575) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID63042575
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C12H22N2O4S/c15-12(16)10-5-4-6-11(9-10)13-19(17,18)14-7-2-1-3-8-14/h10-11,13H,1-9H2,(H,15,16)
InChIKeyDPPCWWPFCAPYAT-UHFFFAOYSA-N
XLogP0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 114173287
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide
CID 106995874
3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid
CID 63042574
3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960
N-(3-aminocyclobutyl)piperidine-1-sulfonamide
CID 43597759
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192
N-[(3S)-piperidin-3-yl]piperidine-1-sulfonamide;hydrochloride
CID 120716711
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid (CID 63042575) is 3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NS(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of 3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is DPPCWWPFCAPYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c15-12(16)10-5-4-6-11(9-10)13-19(17,18)14-7-2-1-3-8-14/h10-11,13H,1-9H2,(H,15,16).
What are the key properties of 3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid?
3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 290.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).