N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride

C24H33ClN2O2S — CID 66745253

IUPACN-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NC1CC1)CC2.Cl
InChIInChI=1S/C24H32N2O2S.ClH/c1-2-14-29(27,28)25-17-19-8-9-20-10-13-24(26-21-11-12-21)23(22(20)16-19)15-18-6-4-3-5-7-18;/h3-9,16,21,23-26H,2,10-15,17H2,1H3;1H
InChIKeyRPMGRSWCHBVSTF-UHFFFAOYSA-N
MW449.06 g/mol
LogP4.33
Rot. Bonds9

About N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride

N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride (PubChem CID 66745253) has the molecular formula C24H33ClN2O2S and a molecular weight of 449.06 g/mol. Its IUPAC name is N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride
PubChem CID66745253
Molecular FormulaC24H33ClN2O2S
Molecular Weight449.06 g/mol
Exact Mass448.20
IUPAC NameN-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NC1CC1)CC2.Cl
InChIInChI=1S/C24H32N2O2S.ClH/c1-2-14-29(27,28)25-17-19-8-9-20-10-13-24(26-21-11-12-21)23(22(20)16-19)15-18-6-4-3-5-7-18;/h3-9,16,21,23-26H,2,10-15,17H2,1H3;1H
InChIKeyRPMGRSWCHBVSTF-UHFFFAOYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.06
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride (CID 66745253) is N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NC1CC1)CC2.Cl.
What is the InChIKey of N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride?
The InChIKey is RPMGRSWCHBVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S.ClH/c1-2-14-29(27,28)25-17-19-8-9-20-10-13-24(26-21-11-12-21)23(22(20)16-19)15-18-6-4-3-5-7-18;/h3-9,16,21,23-26H,2,10-15,17H2,1H3;1H.
What are the key properties of N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride?
N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride has a molecular weight of 449.06 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 66745253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).