1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine

C15H18ClN3O2S — CID 14326774

IUPAC1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2cccc3c(Cl)nccc23)CC1
InChIInChI=1S/C15H18ClN3O2S/c1-17-11-6-9-19(10-7-11)22(20,21)14-4-2-3-13-12(14)5-8-18-15(13)16/h2-5,8,11,17H,6-7,9-10H2,1H3
InChIKeyHLORLIKWLZJYNU-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.26
Rot. Bonds3

About 1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine

1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine (PubChem CID 14326774) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine
PubChem CID14326774
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2cccc3c(Cl)nccc23)CC1
InChIInChI=1S/C15H18ClN3O2S/c1-17-11-6-9-19(10-7-11)22(20,21)14-4-2-3-13-12(14)5-8-18-15(13)16/h2-5,8,11,17H,6-7,9-10H2,1H3
InChIKeyHLORLIKWLZJYNU-UHFFFAOYSA-N
XLogP2.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-chloro-5-piperazin-1-ylsulfonylisoquinoline
CID 22393159
5-(1-chloroisoquinolin-5-yl)sulfonyl-1,2,5-thiadiazepane 1,1-dioxide
CID 155960291
1-chloro-5-(2-methylpiperidin-1-yl)sulfonylisoquinoline;methylcyclohexane
CID 159397606
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
1-(1-chloroisoquinolin-5-yl)sulfonyl-N-hexyl-N-methylpiperidin-3-amine
CID 21278335
N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 120710079
1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine
CID 120715283
methyl 5-[3-(methylamino)piperidin-1-yl]sulfonylisoquinoline-1-carboxylate
CID 120715107
1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 120710068
(3S)-1-(4-chloroisoquinolin-5-yl)sulfonyl-N-methylpyrrolidin-3-amine;dihydrochloride
CID 67524094
bis((3S)-1-(4-chloroisoquinolin-5-yl)sulfonyl-N-methylpyrrolidin-3-amine);hydrochloride
CID 172708331
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine (CID 14326774) is 1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2cccc3c(Cl)nccc23)CC1.
What is the InChIKey of 1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is HLORLIKWLZJYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-17-11-6-9-19(10-7-11)22(20,21)14-4-2-3-13-12(14)5-8-18-15(13)16/h2-5,8,11,17H,6-7,9-10H2,1H3.
What are the key properties of 1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine?
1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 339.85 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 14326774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).