1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine

C17H23N3O2S — CID 14326760

IUPAC1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(S(=O)(=O)c2cccc3cnccc23)C1
InChIInChI=1S/C17H23N3O2S/c1-2-9-19-15-6-4-11-20(13-15)23(21,22)17-7-3-5-14-12-18-10-8-16(14)17/h3,5,7-8,10,12,15,19H,2,4,6,9,11,13H2,1H3
InChIKeyKTCXFPPIPOPFIT-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.39
Rot. Bonds5

About 1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine

1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine (PubChem CID 14326760) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine
PubChem CID14326760
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(S(=O)(=O)c2cccc3cnccc23)C1
InChIInChI=1S/C17H23N3O2S/c1-2-9-19-15-6-4-11-20(13-15)23(21,22)17-7-3-5-14-12-18-10-8-16(14)17/h3,5,7-8,10,12,15,19H,2,4,6,9,11,13H2,1H3
InChIKeyKTCXFPPIPOPFIT-UHFFFAOYSA-N
XLogP2.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-propylpiperidin-1-yl)sulfonylisoquinoline
CID 126780577
1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine
CID 68844705
5-(3-bromopiperidin-1-yl)sulfonylisoquinoline
CID 80676002
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
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
N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide
CID 71974641
5-[(6-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline
CID 22393189
5-[(4-hydroxy-1,4-diazepan-1-yl)sulfonyl]isoquinoline
CID 57333975
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
1-isoquinolin-5-ylsulfonyl-N-methoxy-N-methylpiperidin-4-amine
CID 154782948

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine?
The IUPAC name of 1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine (CID 14326760) is 1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine.
What is the SMILES notation for 1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine?
The canonical SMILES for 1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine is CCCNC1CCCN(S(=O)(=O)c2cccc3cnccc23)C1.
What is the InChIKey of 1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine?
The InChIKey is KTCXFPPIPOPFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-2-9-19-15-6-4-11-20(13-15)23(21,22)17-7-3-5-14-12-18-10-8-16(14)17/h3,5,7-8,10,12,15,19H,2,4,6,9,11,13H2,1H3.
What are the key properties of 1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine?
1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine has a molecular weight of 333.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine is sourced from PubChem (CID 14326760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).