(1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C19H22BrNO2S — CID 8552375

IUPAC(1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H22BrNO2S/c1-21(19-8-4-6-15-5-2-3-7-18(15)19)13-14-24(22,23)17-11-9-16(20)10-12-17/h2-3,5,7,9-12,19H,4,6,8,13-14H2,1H3/t19-/m1/s1
InChIKeyUXQNBFFOWNCCQR-LJQANCHMSA-N
MW408.36 g/mol
LogP4.23
Rot. Bonds5

About (1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 8552375) has the molecular formula C19H22BrNO2S and a molecular weight of 408.36 g/mol. Its IUPAC name is (1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID8552375
Molecular FormulaC19H22BrNO2S
Molecular Weight408.36 g/mol
Exact Mass407.06
IUPAC Name(1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H22BrNO2S/c1-21(19-8-4-6-15-5-2-3-7-18(15)19)13-14-24(22,23)17-11-9-16(20)10-12-17/h2-3,5,7,9-12,19H,4,6,8,13-14H2,1H3/t19-/m1/s1
InChIKeyUXQNBFFOWNCCQR-LJQANCHMSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 95149953
N,N-dimethyl-4-[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 42926100
2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine
CID 51086821
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
2-bromo-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301292
4-fluoro-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301214
2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301327
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860
4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 34041667
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 8552375) is (1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CN(CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCc2ccccc21.
What is the InChIKey of (1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UXQNBFFOWNCCQR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22BrNO2S/c1-21(19-8-4-6-15-5-2-3-7-18(15)19)13-14-24(22,23)17-11-9-16(20)10-12-17/h2-3,5,7,9-12,19H,4,6,8,13-14H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 408.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 8552375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).