5-(3-propylpiperidin-1-yl)sulfonylisoquinoline

C17H22N2O2S — CID 126780577

IUPAC5-(3-propylpiperidin-1-yl)sulfonylisoquinoline
SMILESCCCC1CCCN(S(=O)(=O)c2cccc3cnccc23)C1
InChIInChI=1S/C17H22N2O2S/c1-2-5-14-6-4-11-19(13-14)22(20,21)17-8-3-7-15-12-18-10-9-16(15)17/h3,7-10,12,14H,2,4-6,11,13H2,1H3
InChIKeyBSAXQHSYTNRGCG-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.44
Rot. Bonds4

About 5-(3-propylpiperidin-1-yl)sulfonylisoquinoline

5-(3-propylpiperidin-1-yl)sulfonylisoquinoline (PubChem CID 126780577) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 5-(3-propylpiperidin-1-yl)sulfonylisoquinoline.

Molecular Properties

Compound Name5-(3-propylpiperidin-1-yl)sulfonylisoquinoline
PubChem CID126780577
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name5-(3-propylpiperidin-1-yl)sulfonylisoquinoline
SMILESCCCC1CCCN(S(=O)(=O)c2cccc3cnccc23)C1
InChIInChI=1S/C17H22N2O2S/c1-2-5-14-6-4-11-19(13-14)22(20,21)17-8-3-7-15-12-18-10-9-16(15)17/h3,7-10,12,14H,2,4-6,11,13H2,1H3
InChIKeyBSAXQHSYTNRGCG-UHFFFAOYSA-N
XLogP3.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine
CID 14326760
5-(3-bromopiperidin-1-yl)sulfonylisoquinoline
CID 80676002
5-[(6-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline
CID 22393189
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971621
5-[4-(chloromethyl)piperidin-1-yl]sulfonylisoquinoline
CID 63400965
5-[(4-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline
CID 22393194
2-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)acetic acid
CID 64616827
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine
CID 68844705
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
5-[(4-hydroxy-1,4-diazepan-1-yl)sulfonyl]isoquinoline
CID 57333975

Frequently Asked Questions

What is the IUPAC name of 5-(3-propylpiperidin-1-yl)sulfonylisoquinoline?
The IUPAC name of 5-(3-propylpiperidin-1-yl)sulfonylisoquinoline (CID 126780577) is 5-(3-propylpiperidin-1-yl)sulfonylisoquinoline.
What is the SMILES notation for 5-(3-propylpiperidin-1-yl)sulfonylisoquinoline?
The canonical SMILES for 5-(3-propylpiperidin-1-yl)sulfonylisoquinoline is CCCC1CCCN(S(=O)(=O)c2cccc3cnccc23)C1.
What is the InChIKey of 5-(3-propylpiperidin-1-yl)sulfonylisoquinoline?
The InChIKey is BSAXQHSYTNRGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-2-5-14-6-4-11-19(13-14)22(20,21)17-8-3-7-15-12-18-10-9-16(15)17/h3,7-10,12,14H,2,4-6,11,13H2,1H3.
What are the key properties of 5-(3-propylpiperidin-1-yl)sulfonylisoquinoline?
5-(3-propylpiperidin-1-yl)sulfonylisoquinoline has a molecular weight of 318.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propylpiperidin-1-yl)sulfonylisoquinoline is sourced from PubChem (CID 126780577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).