1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine

C17H24N4O2S — CID 68844705

IUPAC1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine
SMILESCCCNNC1CCN(S(=O)(=O)c2cccc3cnccc23)CC1
InChIInChI=1S/C17H24N4O2S/c1-2-9-19-20-15-7-11-21(12-8-15)24(22,23)17-5-3-4-14-13-18-10-6-16(14)17/h3-6,10,13,15,19-20H,2,7-9,11-12H2,1H3
InChIKeyLDHVGBVLZATQSX-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.89
Rot. Bonds6

About 1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine

1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine (PubChem CID 68844705) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine.

Molecular Properties

Compound Name1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine
PubChem CID68844705
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine
SMILESCCCNNC1CCN(S(=O)(=O)c2cccc3cnccc23)CC1
InChIInChI=1S/C17H24N4O2S/c1-2-9-19-20-15-7-11-21(12-8-15)24(22,23)17-5-3-4-14-13-18-10-6-16(14)17/h3-6,10,13,15,19-20H,2,7-9,11-12H2,1H3
InChIKeyLDHVGBVLZATQSX-UHFFFAOYSA-N
XLogP1.89
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine
CID 14326760
5-[4-(chloromethyl)piperidin-1-yl]sulfonylisoquinoline
CID 63400965
1-isoquinolin-5-ylsulfonyl-N-methoxy-N-methylpiperidin-4-amine
CID 154782948
5-(3-propylpiperidin-1-yl)sulfonylisoquinoline
CID 126780577
1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42476381
1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971621
2-chloro-1-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)ethanone;hydrochloride
CID 167952786
1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779179
5-[(4-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline
CID 22393194
5-(3-bromopiperidin-1-yl)sulfonylisoquinoline
CID 80676002
2-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)acetic acid
CID 64616827
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylisoquinoline
CID 23904900

Frequently Asked Questions

What is the IUPAC name of 1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine?
The IUPAC name of 1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine (CID 68844705) is 1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine.
What is the SMILES notation for 1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine?
The canonical SMILES for 1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine is CCCNNC1CCN(S(=O)(=O)c2cccc3cnccc23)CC1.
What is the InChIKey of 1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine?
The InChIKey is LDHVGBVLZATQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-2-9-19-20-15-7-11-21(12-8-15)24(22,23)17-5-3-4-14-13-18-10-6-16(14)17/h3-6,10,13,15,19-20H,2,7-9,11-12H2,1H3.
What are the key properties of 1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine?
1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine has a molecular weight of 348.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine is sourced from PubChem (CID 68844705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).