1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C16H21NO2S2 — CID 61207416

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNCc1cc2c(s1)CCC2)COCc1cccs1
InChIInChI=1S/C16H21NO2S2/c18-13(10-19-11-14-4-2-6-20-14)8-17-9-15-7-12-3-1-5-16(12)21-15/h2,4,6-7,13,17-18H,1,3,5,8-11H2
InChIKeyHICMUXKTHPLTSA-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.97
Rot. Bonds8

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 61207416) has the molecular formula C16H21NO2S2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID61207416
Molecular FormulaC16H21NO2S2
Molecular Weight323.48 g/mol
Exact Mass323.10
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNCc1cc2c(s1)CCC2)COCc1cccs1
InChIInChI=1S/C16H21NO2S2/c18-13(10-19-11-14-4-2-6-20-14)8-17-9-15-7-12-3-1-5-16(12)21-15/h2,4,6-7,13,17-18H,1,3,5,8-11H2
InChIKeyHICMUXKTHPLTSA-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 61208557
1-[(4,5-dimethylthiophen-2-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 65243670
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65123112
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-[2-(cyclohexen-1-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634710
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 62840998
1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55014565
4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 106133162
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54903426
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 78974816

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 61207416) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(CNCc1cc2c(s1)CCC2)COCc1cccs1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is HICMUXKTHPLTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S2/c18-13(10-19-11-14-4-2-6-20-14)8-17-9-15-7-12-3-1-5-16(12)21-15/h2,4,6-7,13,17-18H,1,3,5,8-11H2.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 323.48 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 61207416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).