5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine

C9H15NS — CID 143716564

IUPAC5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine
SMILESCC1CC(C)C2=C1NCCS2
InChIInChI=1S/C9H15NS/c1-6-5-7(2)9-8(6)10-3-4-11-9/h6-7,10H,3-5H2,1-2H3
InChIKeyHBEWFEBUNKLJIR-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.21
Rot. Bonds

About 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine

5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine (PubChem CID 143716564) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine.

Molecular Properties

Compound Name5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine
PubChem CID143716564
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine
SMILESCC1CC(C)C2=C1NCCS2
InChIInChI=1S/C9H15NS/c1-6-5-7(2)9-8(6)10-3-4-11-9/h6-7,10H,3-5H2,1-2H3
InChIKeyHBEWFEBUNKLJIR-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[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
2,3,4,5,6,7-Hexahydrocyclopenta[b][1,4]thiazine
CID 55287037
2-Methyl-2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine
CID 89140123
(2-Methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-7-yl)methanamine
CID 129016134
2,3,7-trimethyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole
CID 140266424
N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazol-4-yl)methanamine
CID 140266425
Ethane;2-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazole
CID 142366117
4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine
CID 143716566
11-Propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716685
11-Methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716687
2-Propan-2-yl-2,3,4,5,6,7-hexahydro-1,3-benzothiazole
CID 145766770
(3S)-2-methyl-3-(2-methylsulfanylethyl)-2,3,4,5,6,7-hexahydro-1H-indole
CID 146520895

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine?
The IUPAC name of 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine (CID 143716564) is 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine.
What is the SMILES notation for 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine?
The canonical SMILES for 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine is CC1CC(C)C2=C1NCCS2.
What is the InChIKey of 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine?
The InChIKey is HBEWFEBUNKLJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-6-5-7(2)9-8(6)10-3-4-11-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine?
5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine has a molecular weight of 169.29 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine is sourced from PubChem (CID 143716564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).