5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine

C13H17NOS — CID 102649418

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H17NOS/c14-13(10-5-1-2-7-15-10)12-8-9-4-3-6-11(9)16-12/h5,8,13H,1-4,6-7,14H2
InChIKeyXLVQTBUENQQLJL-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.93
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 102649418) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID102649418
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H17NOS/c14-13(10-5-1-2-7-15-10)12-8-9-4-3-6-11(9)16-12/h5,8,13H,1-4,6-7,14H2
InChIKeyXLVQTBUENQQLJL-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 102653234
[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 102654422
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653168
(5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 61102622
N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 102653122
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
(4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 105010507
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43384394
(3,5-dimethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 115797432
(4-butan-2-ylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43464272
(3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648987

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 102649418) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)c1cc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is XLVQTBUENQQLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c14-13(10-5-1-2-7-15-10)12-8-9-4-3-6-11(9)16-12/h5,8,13H,1-4,6-7,14H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine has a molecular weight of 235.35 g/mol, XLogP of 2.93, 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(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 102649418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).