N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine

C13H19NOS — CID 115895775

IUPACN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H19NOS/c1-9(14-11-5-6-15-8-11)13-7-10-3-2-4-12(10)16-13/h7,9,11,14H,2-6,8H2,1H3
InChIKeyFZUILJUQMQSDBJ-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.68
Rot. Bonds3

About N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine

N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine (PubChem CID 115895775) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine
PubChem CID115895775
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H19NOS/c1-9(14-11-5-6-15-8-11)13-7-10-3-2-4-12(10)16-13/h7,9,11,14H,2-6,8H2,1H3
InChIKeyFZUILJUQMQSDBJ-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine
CID 82726466
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxolan-3-yl)methyl]ethanamine
CID 115856695
N-(1,4-dioxan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81323082
N-[(1R)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398410
N-[(1S)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398144
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115712995
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721776
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]butan-1-amine
CID 115704845
2-[[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 81339392
N-[cyclohexyl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 114981660
(2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol
CID 103922540

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine?
The IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine (CID 115895775) is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine?
The canonical SMILES for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine is CC(NC1CCOC1)c1cc2c(s1)CCC2.
What is the InChIKey of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine?
The InChIKey is FZUILJUQMQSDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9(14-11-5-6-15-8-11)13-7-10-3-2-4-12(10)16-13/h7,9,11,14H,2-6,8H2,1H3.
What are the key properties of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine?
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine has a molecular weight of 237.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 115895775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).