3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole

C9H13NS — CID 18947043

IUPAC3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
SMILESCC(C)c1scc2c1CNC2
InChIInChI=1S/C9H13NS/c1-6(2)9-8-4-10-3-7(8)5-11-9/h5-6,10H,3-4H2,1-2H3
InChIKeyAEYCEJYWFWOKIT-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.47
Rot. Bonds1

About 3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole

3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole (PubChem CID 18947043) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole.

Molecular Properties

Compound Name3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
PubChem CID18947043
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
SMILESCC(C)c1scc2c1CNC2
InChIInChI=1S/C9H13NS/c1-6(2)9-8-4-10-3-7(8)5-11-9/h5-6,10H,3-4H2,1-2H3
InChIKeyAEYCEJYWFWOKIT-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4H,5H,6H,7H-thieno(3,2-c)pyridine hydrochloride
CID 155977909
5,6-dihydro-4H-thieno[2,3-c]pyrrole
CID 53691969
3-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 18377318
1-(1-Methylethyl)-5,6-dihydro-4H-thieno[3,4-c]pyrrole trifluoroacetate
CID 18947042
2-(trifluoromethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole
CID 82402300
N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 114749080
N-[(4,5-dimethylthiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 114749097
2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine
CID 114749103
N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 114749104
N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 114749106
2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine
CID 114749115
N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 114749120

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The IUPAC name of 3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole (CID 18947043) is 3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole.
What is the SMILES notation for 3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The canonical SMILES for 3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole is CC(C)c1scc2c1CNC2.
What is the InChIKey of 3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The InChIKey is AEYCEJYWFWOKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-6(2)9-8-4-10-3-7(8)5-11-9/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole has a molecular weight of 167.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6-dihydro-4H-thieno[3,4-c]pyrrole is sourced from PubChem (CID 18947043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).