N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride

C15H24ClN3O2S — CID 119985438

IUPACN-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H23N3O2S.ClH/c16-10-13-6-3-7-15(13)17-21(19,20)18-9-8-12-4-1-2-5-14(12)11-18;/h1-2,4-5,13,15,17H,3,6-11,16H2;1H
InChIKeyHJUHWCFCQQLIEF-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.43
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride (PubChem CID 119985438) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride
PubChem CID119985438
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H23N3O2S.ClH/c16-10-13-6-3-7-15(13)17-21(19,20)18-9-8-12-4-1-2-5-14(12)11-18;/h1-2,4-5,13,15,17H,3,6-11,16H2;1H
InChIKeyHJUHWCFCQQLIEF-UHFFFAOYSA-N
XLogP1.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride (CID 119985438) is N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride is Cl.NCC1CCCC1NS(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?
The InChIKey is HJUHWCFCQQLIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c16-10-13-6-3-7-15(13)17-21(19,20)18-9-8-12-4-1-2-5-14(12)11-18;/h1-2,4-5,13,15,17H,3,6-11,16H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119985438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).