(5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine

C12H17NS — CID 143288936

IUPAC(5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine
SMILESCC1(C)/C=C\C2=C(C=CC1)SCCN2
InChIInChI=1S/C12H17NS/c1-12(2)6-3-4-11-10(5-7-12)13-8-9-14-11/h3-5,7,13H,6,8-9H2,1-2H3/b4-3?,7-5-
InChIKeyFPFWAJBXINUSKS-YFPBZNGSSA-N
MW207.34 g/mol
LogP3.08
Rot. Bonds

About (5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine

(5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine (PubChem CID 143288936) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine.

Molecular Properties

Compound Name(5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine
PubChem CID143288936
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine
SMILESCC1(C)/C=C\C2=C(C=CC1)SCCN2
InChIInChI=1S/C12H17NS/c1-12(2)6-3-4-11-10(5-7-12)13-8-9-14-11/h3-5,7,13H,6,8-9H2,1-2H3/b4-3?,7-5-
InChIKeyFPFWAJBXINUSKS-YFPBZNGSSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine?
The IUPAC name of (5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine (CID 143288936) is (5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine.
What is the SMILES notation for (5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine?
The canonical SMILES for (5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine is CC1(C)/C=C\C2=C(C=CC1)SCCN2.
What is the InChIKey of (5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine?
The InChIKey is FPFWAJBXINUSKS-YFPBZNGSSA-N. The full InChI is InChI=1S/C12H17NS/c1-12(2)6-3-4-11-10(5-7-12)13-8-9-14-11/h3-5,7,13H,6,8-9H2,1-2H3/b4-3?,7-5-.
What are the key properties of (5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine?
(5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine has a molecular weight of 207.34 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine is sourced from PubChem (CID 143288936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).