2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole

C8H11NS — CID 82416753

IUPAC2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole
SMILESCc1cc2c([nH]1)CCSC2
InChIInChI=1S/C8H11NS/c1-6-4-7-5-10-3-2-8(7)9-6/h4,9H,2-3,5H2,1H3
InChIKeyFSZNAKHTLUXGSR-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.11
Rot. Bonds

About 2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole

2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole (PubChem CID 82416753) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole.

Molecular Properties

Compound Name2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole
PubChem CID82416753
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole
SMILESCc1cc2c([nH]1)CCSC2
InChIInChI=1S/C8H11NS/c1-6-4-7-5-10-3-2-8(7)9-6/h4,9H,2-3,5H2,1H3
InChIKeyFSZNAKHTLUXGSR-UHFFFAOYSA-N
XLogP2.11
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 11819082
2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole
CID 82418938
2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one
CID 19771729
5,6-dimethyl-3,4-dihydro-1H-isothiochromene
CID 176877421
5-methyl-3,4-dihydro-1H-isothiochromene
CID 91411706
6,8-dimethyl-3,4-dihydro-1H-2-benzothiepin-5-one
CID 82886190
3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one
CID 163969307
3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid
CID 22269631
3,4-dihydro-1H-isothiochromen-6-amine
CID 22269614
4,6,7,8-tetrahydro-1H-thiepino[4,3-b]pyrrole
CID 90244269
2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12798227
2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261502

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole?
The IUPAC name of 2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole (CID 82416753) is 2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole.
What is the SMILES notation for 2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole?
The canonical SMILES for 2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole is Cc1cc2c([nH]1)CCSC2.
What is the InChIKey of 2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole?
The InChIKey is FSZNAKHTLUXGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-4-7-5-10-3-2-8(7)9-6/h4,9H,2-3,5H2,1H3.
What are the key properties of 2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole?
2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole has a molecular weight of 153.25 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole is sourced from PubChem (CID 82416753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).