(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine

C12H13NS — CID 81453544

IUPAC(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine
SMILESN[C@H]1CCCc2c1sc1ccccc21
InChIInChI=1S/C12H13NS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4,7,10H,3,5-6,13H2/t10-/m0/s1
InChIKeyLUHLUIGXWJMMKG-JTQLQIEISA-N
MW203.31 g/mol
LogP3.24
Rot. Bonds

About (4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine

(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine (PubChem CID 81453544) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is (4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine.

Molecular Properties

Compound Name(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine
PubChem CID81453544
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine
SMILESN[C@H]1CCCc2c1sc1ccccc21
InChIInChI=1S/C12H13NS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4,7,10H,3,5-6,13H2/t10-/m0/s1
InChIKeyLUHLUIGXWJMMKG-JTQLQIEISA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine?
The IUPAC name of (4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine (CID 81453544) is (4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine.
What is the SMILES notation for (4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine?
The canonical SMILES for (4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine is N[C@H]1CCCc2c1sc1ccccc21.
What is the InChIKey of (4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine?
The InChIKey is LUHLUIGXWJMMKG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13NS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4,7,10H,3,5-6,13H2/t10-/m0/s1.
What are the key properties of (4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine?
(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine has a molecular weight of 203.31 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine is sourced from PubChem (CID 81453544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).