(2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C15H21ClF3NO2S — CID 70683413

IUPAC(2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN[C@H]1CCc2cccc(CS(=O)(=O)C(F)(F)F)c2C1.Cl
InChIInChI=1S/C15H20F3NO2S.ClH/c1-2-8-19-13-7-6-11-4-3-5-12(14(11)9-13)10-22(20,21)15(16,17)18;/h3-5,13,19H,2,6-10H2,1H3;1H/t13-;/m0./s1
InChIKeyBVTJSHGCLHKRMV-ZOWNYOTGSA-N
MW371.85 g/mol
LogP3.40
Rot. Bonds5

About (2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

(2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 70683413) has the molecular formula C15H21ClF3NO2S and a molecular weight of 371.85 g/mol. Its IUPAC name is (2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID70683413
Molecular FormulaC15H21ClF3NO2S
Molecular Weight371.85 g/mol
Exact Mass371.09
IUPAC Name(2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN[C@H]1CCc2cccc(CS(=O)(=O)C(F)(F)F)c2C1.Cl
InChIInChI=1S/C15H20F3NO2S.ClH/c1-2-8-19-13-7-6-11-4-3-5-12(14(11)9-13)10-22(20,21)15(16,17)18;/h3-5,13,19H,2,6-10H2,1H3;1H/t13-;/m0./s1
InChIKeyBVTJSHGCLHKRMV-ZOWNYOTGSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 70683413) is (2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CCCN[C@H]1CCc2cccc(CS(=O)(=O)C(F)(F)F)c2C1.Cl.
What is the InChIKey of (2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is BVTJSHGCLHKRMV-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H20F3NO2S.ClH/c1-2-8-19-13-7-6-11-4-3-5-12(14(11)9-13)10-22(20,21)15(16,17)18;/h3-5,13,19H,2,6-10H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 371.85 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 70683413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).