N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide

C21H28N2O2S — CID 118987383

IUPACN-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)C(N)CC2
InChIInChI=1S/C21H28N2O2S/c1-2-12-26(24,25)23-15-17-8-9-18-10-11-21(22)20(19(18)14-17)13-16-6-4-3-5-7-16/h3-9,14,20-21,23H,2,10-13,15,22H2,1H3/t20-,21?/m0/s1
InChIKeyLAJRMLHKDHAMOJ-BGERDNNASA-N
MW372.53 g/mol
LogP3.12
Rot. Bonds7

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

N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide (PubChem CID 118987383) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
PubChem CID118987383
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)C(N)CC2
InChIInChI=1S/C21H28N2O2S/c1-2-12-26(24,25)23-15-17-8-9-18-10-11-21(22)20(19(18)14-17)13-16-6-4-3-5-7-16/h3-9,14,20-21,23H,2,10-13,15,22H2,1H3/t20-,21?/m0/s1
InChIKeyLAJRMLHKDHAMOJ-BGERDNNASA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide with MolForge

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Related Compounds

N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride
CID 66745253
1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 159439876
N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide
CID 56656099
1-benzyl-7-[2-(cyclopropylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine;propane-1-sulfonic acid
CID 172817222
1-benzyl-N-propan-2-yl-7-(4-propylsulfonylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 159135670
N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride
CID 57467298
N-[(Z)-3-[8-benzyl-7-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]but-2-enyl]propane-1-sulfonamide
CID 163867289
N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride
CID 57467304
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
[1-[(4-chlorophenyl)methyl]-7-[3-(propylsulfonylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 57467311
N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide
CID 141403649
N-[3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide;hydrochloride
CID 140556013

Frequently Asked Questions

What is the IUPAC name of N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide (CID 118987383) is N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)C(N)CC2.
What is the InChIKey of N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The InChIKey is LAJRMLHKDHAMOJ-BGERDNNASA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-2-12-26(24,25)23-15-17-8-9-18-10-11-21(22)20(19(18)14-17)13-16-6-4-3-5-7-16/h3-9,14,20-21,23H,2,10-13,15,22H2,1H3/t20-,21?/m0/s1.
What are the key properties of N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 118987383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).