3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole

C12H19NS — CID 176640371

IUPAC3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole
SMILESCC(C)c1scc2c1CN(C(C)C)C2
InChIInChI=1S/C12H19NS/c1-8(2)12-11-6-13(9(3)4)5-10(11)7-14-12/h7-9H,5-6H2,1-4H3
InChIKeyDPNKMPABBPQESA-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.60
Rot. Bonds2

About 3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole

3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole (PubChem CID 176640371) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole
PubChem CID176640371
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole
SMILESCC(C)c1scc2c1CN(C(C)C)C2
InChIInChI=1S/C12H19NS/c1-8(2)12-11-6-13(9(3)4)5-10(11)7-14-12/h7-9H,5-6H2,1-4H3
InChIKeyDPNKMPABBPQESA-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine
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5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole
CID 156709739
5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 83845987
5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 21057906
1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione
CID 59551071
6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-amine
CID 114749292
3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 105447221
ethane;1,3,4,5,6-penta(propan-2-yl)-2,7-dihydroazepine
CID 158337584
5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one
CID 134608258
2-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole?
The IUPAC name of 3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole (CID 176640371) is 3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole.
What is the SMILES notation for 3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole?
The canonical SMILES for 3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole is CC(C)c1scc2c1CN(C(C)C)C2.
What is the InChIKey of 3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole?
The InChIKey is DPNKMPABBPQESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-8(2)12-11-6-13(9(3)4)5-10(11)7-14-12/h7-9H,5-6H2,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole?
3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole has a molecular weight of 209.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole is sourced from PubChem (CID 176640371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).