5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine

C17H25NOS — CID 105016692

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESNC(c1cc2c(s1)CCC2)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H25NOS/c18-16(15-10-12-4-3-5-14(12)20-15)13-6-9-19-17(11-13)7-1-2-8-17/h10,13,16H,1-9,11,18H2
InChIKeyWPAYOKGENWXHHP-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.98
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105016692) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID105016692
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESNC(c1cc2c(s1)CCC2)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H25NOS/c18-16(15-10-12-4-3-5-14(12)20-15)13-6-9-19-17(11-13)7-1-2-8-17/h10,13,16H,1-9,11,18H2
InChIKeyWPAYOKGENWXHHP-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 105016692) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine is NC(c1cc2c(s1)CCC2)C1CCOC2(CCCC2)C1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is WPAYOKGENWXHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c18-16(15-10-12-4-3-5-14(12)20-15)13-6-9-19-17(11-13)7-1-2-8-17/h10,13,16H,1-9,11,18H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 291.46 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105016692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).