5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine

C14H25NS2 — CID 147465421

IUPAC5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine
SMILESCCCC1CCCSCC(C)C2=C1NCCS2
InChIInChI=1S/C14H25NS2/c1-3-5-12-6-4-8-16-10-11(2)14-13(12)15-7-9-17-14/h11-12,15H,3-10H2,1-2H3
InChIKeyFASPAAJJZUCNQF-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.11
Rot. Bonds2

About 5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine

5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine (PubChem CID 147465421) has the molecular formula C14H25NS2 and a molecular weight of 271.49 g/mol. Its IUPAC name is 5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine.

Molecular Properties

Compound Name5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine
PubChem CID147465421
Molecular FormulaC14H25NS2
Molecular Weight271.49 g/mol
Exact Mass271.14
IUPAC Name5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine
SMILESCCCC1CCCSCC(C)C2=C1NCCS2
InChIInChI=1S/C14H25NS2/c1-3-5-12-6-4-8-16-10-11(2)14-13(12)15-7-9-17-14/h11-12,15H,3-10H2,1-2H3
InChIKeyFASPAAJJZUCNQF-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine with MolForge

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Launch Full Analysis

Related Compounds

2-Isopropyl-3-isobutyl-5,6-dihydro-4H-1,4-thiazin
CID 12998653
5-heptyl-6-hexan-3-yl-3,4-dihydro-2H-1,4-thiazine
CID 71089024
(2-Methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-7-yl)methanamine
CID 129016134
10-Ethyl-2-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716334
5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine
CID 143716348
5-Ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716398
2-Methyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716433
2-Ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716445
5,11-Dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716495
6-methyl-5-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine
CID 143716509
5,7-Dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine
CID 143716564
4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine
CID 143716566

Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine?
The IUPAC name of 5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine (CID 147465421) is 5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine.
What is the SMILES notation for 5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine?
The canonical SMILES for 5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine is CCCC1CCCSCC(C)C2=C1NCCS2.
What is the InChIKey of 5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine?
The InChIKey is FASPAAJJZUCNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS2/c1-3-5-12-6-4-8-16-10-11(2)14-13(12)15-7-9-17-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine?
5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine has a molecular weight of 271.49 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11-propyl-2,3,5,6,8,9,10,11-octahydro-1H-thionino[4,5-b][1,4]thiazine is sourced from PubChem (CID 147465421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).