(cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

C19H28N2O5S — CID 87924630

IUPAC(cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)ONC3CCCCC3)C2)cc1
InChIInChI=1S/C19H28N2O5S/c1-25-17-9-11-18(12-10-17)27(23,24)21-13-5-6-15(14-21)19(22)26-20-16-7-3-2-4-8-16/h9-12,15-16,20H,2-8,13-14H2,1H3
InChIKeyGOHISDLVCDUTIR-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.48
Rot. Bonds6

About (cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

(cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 87924630) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is (cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
PubChem CID87924630
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name(cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)ONC3CCCCC3)C2)cc1
InChIInChI=1S/C19H28N2O5S/c1-25-17-9-11-18(12-10-17)27(23,24)21-13-5-6-15(14-21)19(22)26-20-16-7-3-2-4-8-16/h9-12,15-16,20H,2-8,13-14H2,1H3
InChIKeyGOHISDLVCDUTIR-UHFFFAOYSA-N
XLogP2.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
N-[1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 56737600
methyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40899596
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
[2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 46659229
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
(4-methylsulfanylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 46659336

Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of (cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate (CID 87924630) is (cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for (cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for (cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate is COc1ccc(S(=O)(=O)N2CCCC(C(=O)ONC3CCCCC3)C2)cc1.
What is the InChIKey of (cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is GOHISDLVCDUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-25-17-9-11-18(12-10-17)27(23,24)21-13-5-6-15(14-21)19(22)26-20-16-7-3-2-4-8-16/h9-12,15-16,20H,2-8,13-14H2,1H3.
What are the key properties of (cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
(cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 396.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 87924630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).