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

C16H21NO3S — CID 61208557

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(CNCc1cc2c(s1)CCC2)COCc1ccco1
InChIInChI=1S/C16H21NO3S/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
InChIKeyXRNDVHLEBPMJQX-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.50
Rot. Bonds8

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

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 61208557) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID61208557
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(CNCc1cc2c(s1)CCC2)COCc1ccco1
InChIInChI=1S/C16H21NO3S/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
InChIKeyXRNDVHLEBPMJQX-UHFFFAOYSA-N
XLogP2.50
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61207416
1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62848280
1-(furan-2-ylmethoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633593
4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380938
1-(furan-2-ylmethoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 114186259
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate
CID 103242925
1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 54914081

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol (CID 61208557) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol is OC(CNCc1cc2c(s1)CCC2)COCc1ccco1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is XRNDVHLEBPMJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/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-(furan-2-ylmethoxy)propan-2-ol?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 307.41 g/mol, XLogP of 2.50, 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-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 61208557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).