N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride

C16H26ClN3O2S — CID 119979174

IUPACN-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCCNC1)N1CCc2ccccc2C1
InChIInChI=1S/C16H25N3O2S.ClH/c20-22(21,18-10-7-14-4-3-9-17-12-14)19-11-8-15-5-1-2-6-16(15)13-19;/h1-2,5-6,14,17-18H,3-4,7-13H2;1H
InChIKeyFIKQMWCMNZJCHZ-UHFFFAOYSA-N
MW359.92 g/mol
LogP1.69
Rot. Bonds5

About N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride

N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride (PubChem CID 119979174) has the molecular formula C16H26ClN3O2S and a molecular weight of 359.92 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride
PubChem CID119979174
Molecular FormulaC16H26ClN3O2S
Molecular Weight359.92 g/mol
Exact Mass359.14
IUPAC NameN-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCCNC1)N1CCc2ccccc2C1
InChIInChI=1S/C16H25N3O2S.ClH/c20-22(21,18-10-7-14-4-3-9-17-12-14)19-11-8-15-5-1-2-6-16(15)13-19;/h1-2,5-6,14,17-18H,3-4,7-13H2;1H
InChIKeyFIKQMWCMNZJCHZ-UHFFFAOYSA-N
XLogP1.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.92
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 104972706
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 95204803
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
2-pyrrolidin-3-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 65419388
1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride
CID 53408240
N-(2-cyclohexylethyl)piperazine-1-sulfonamide
CID 54932858
N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 115301347
1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119979250
1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119979655

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride (CID 119979174) is N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride is Cl.O=S(=O)(NCCC1CCCNC1)N1CCc2ccccc2C1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?
The InChIKey is FIKQMWCMNZJCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S.ClH/c20-22(21,18-10-7-14-4-3-9-17-12-14)19-11-8-15-5-1-2-6-16(15)13-19;/h1-2,5-6,14,17-18H,3-4,7-13H2;1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride has a molecular weight of 359.92 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119979174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).