2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol

C13H21NOS — CID 79412515

IUPAC2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol
SMILESCCCC(CN)C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C13H21NOS/c1-2-4-10(8-14)13(15)12-7-9-5-3-6-11(9)16-12/h7,10,13,15H,2-6,8,14H2,1H3
InChIKeyKFFOVVFGSCNRKG-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.65
Rot. Bonds5

About 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol

2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol (PubChem CID 79412515) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol
PubChem CID79412515
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol
SMILESCCCC(CN)C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C13H21NOS/c1-2-4-10(8-14)13(15)12-7-9-5-3-6-11(9)16-12/h7,10,13,15H,2-6,8,14H2,1H3
InChIKeyKFFOVVFGSCNRKG-UHFFFAOYSA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol
CID 65185849
(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 96777587
3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 65185870
3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
CID 65185014
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine
CID 105298347
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005769
4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol
CID 115803769
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylnonan-1-amine
CID 115835124
1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentylhydrazine
CID 105293687
3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
CID 115810675

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol (CID 79412515) is 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol is CCCC(CN)C(O)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol?
The InChIKey is KFFOVVFGSCNRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-4-10(8-14)13(15)12-7-9-5-3-6-11(9)16-12/h7,10,13,15H,2-6,8,14H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol?
2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol is sourced from PubChem (CID 79412515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).