3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine

C8H13NS — CID 70584736

IUPAC3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine
SMILESCC1CN2CCC=C2CS1
InChIInChI=1S/C8H13NS/c1-7-5-9-4-2-3-8(9)6-10-7/h3,7H,2,4-6H2,1H3
InChIKeyCIUJBSUMVLULME-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.71
Rot. Bonds

About 3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine

3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine (PubChem CID 70584736) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine.

Molecular Properties

Compound Name3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine
PubChem CID70584736
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine
SMILESCC1CN2CCC=C2CS1
InChIInChI=1S/C8H13NS/c1-7-5-9-4-2-3-8(9)6-10-7/h3,7H,2,4-6H2,1H3
InChIKeyCIUJBSUMVLULME-UHFFFAOYSA-N
XLogP1.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine?
The IUPAC name of 3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine (CID 70584736) is 3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine.
What is the SMILES notation for 3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine?
The canonical SMILES for 3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine is CC1CN2CCC=C2CS1.
What is the InChIKey of 3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine?
The InChIKey is CIUJBSUMVLULME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7-5-9-4-2-3-8(9)6-10-7/h3,7H,2,4-6H2,1H3.
What are the key properties of 3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine?
3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine has a molecular weight of 155.27 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine is sourced from PubChem (CID 70584736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).