ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate

C17H21N3O4S — CID 25043133

IUPACethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cccc3cnccc23)CC1
InChIInChI=1S/C17H21N3O4S/c1-2-24-17(21)20-10-7-14(8-11-20)19-25(22,23)16-5-3-4-13-12-18-9-6-15(13)16/h3-6,9,12,14,19H,2,7-8,10-11H2,1H3
InChIKeyDJZYTLRYMTXZLZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.13
Rot. Bonds4

About ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate

ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate (PubChem CID 25043133) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate
PubChem CID25043133
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Nameethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cccc3cnccc23)CC1
InChIInChI=1S/C17H21N3O4S/c1-2-24-17(21)20-10-7-14(8-11-20)19-25(22,23)16-5-3-4-13-12-18-9-6-15(13)16/h3-6,9,12,14,19H,2,7-8,10-11H2,1H3
InChIKeyDJZYTLRYMTXZLZ-UHFFFAOYSA-N
XLogP2.13
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide
CID 126775893
ethyl 4-[[5-[chloro(phenyl)carbamoyl]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 87230277
ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329550
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
ethyl 4-[[4-[1-(cyclohexylamino)ethyl]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656443
ethyl 4-[[5-[methyl-(3-methylphenyl)carbamoyl]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 66998672
N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide
CID 43597051
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 4-[[4-(cyclohexanecarbonylamino)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 10345358
ethyl 4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 66998248

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate (CID 25043133) is ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2cccc3cnccc23)CC1.
What is the InChIKey of ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate?
The InChIKey is DJZYTLRYMTXZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-2-24-17(21)20-10-7-14(8-11-20)19-25(22,23)16-5-3-4-13-12-18-9-6-15(13)16/h3-6,9,12,14,19H,2,7-8,10-11H2,1H3.
What are the key properties of ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate?
ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate has a molecular weight of 363.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 25043133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).