4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine

C14H17NS — CID 163438039

IUPAC4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine
SMILESCC1=CC2NC3=CC=CCC3(C)SC2C=C1
InChIInChI=1S/C14H17NS/c1-10-6-7-12-11(9-10)15-13-5-3-4-8-14(13,2)16-12/h3-7,9,11-12,15H,8H2,1-2H3
InChIKeyAWEIUXKLBGWREU-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.18
Rot. Bonds

About 4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine

4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine (PubChem CID 163438039) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine.

Molecular Properties

Compound Name4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine
PubChem CID163438039
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine
SMILESCC1=CC2NC3=CC=CCC3(C)SC2C=C1
InChIInChI=1S/C14H17NS/c1-10-6-7-12-11(9-10)15-13-5-3-4-8-14(13,2)16-12/h3-7,9,11-12,15H,8H2,1-2H3
InChIKeyAWEIUXKLBGWREU-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine?
The IUPAC name of 4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine (CID 163438039) is 4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine.
What is the SMILES notation for 4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine?
The canonical SMILES for 4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine is CC1=CC2NC3=CC=CCC3(C)SC2C=C1.
What is the InChIKey of 4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine?
The InChIKey is AWEIUXKLBGWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-6-7-12-11(9-10)15-13-5-3-4-8-14(13,2)16-12/h3-7,9,11-12,15H,8H2,1-2H3.
What are the key properties of 4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine?
4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine has a molecular weight of 231.36 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8-dimethyl-4,5a,9a,10-tetrahydrophenothiazine is sourced from PubChem (CID 163438039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).