(2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol

C13H21NOS — CID 103922540

IUPAC(2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1cc2c(s1)CCC2
InChIInChI=1S/C13H21NOS/c1-3-11(8-15)14-9(2)13-7-10-5-4-6-12(10)16-13/h7,9,11,14-15H,3-6,8H2,1-2H3/t9?,11-/m1/s1
InChIKeyPWPXUJLEKXAGGG-HCCKASOXSA-N
MW239.38 g/mol
LogP2.66
Rot. Bonds5

About (2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol

(2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol (PubChem CID 103922540) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is (2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol
PubChem CID103922540
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name(2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1cc2c(s1)CCC2
InChIInChI=1S/C13H21NOS/c1-3-11(8-15)14-9(2)13-7-10-5-4-6-12(10)16-13/h7,9,11,14-15H,3-6,8H2,1-2H3/t9?,11-/m1/s1
InChIKeyPWPXUJLEKXAGGG-HCCKASOXSA-N
XLogP2.66
TPSA32.26 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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 103922417
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721776
4-methoxy-3-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 103785453
1-N,1-N-dimethyl-2-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propane-1,2-diamine
CID 82945568
1-methoxy-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propan-2-amine
CID 81301050
2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]ethanol
CID 81302192
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 43207232
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]butan-1-amine
CID 115704845
3-[2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781932
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 115780103
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of (2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol (CID 103922540) is (2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol is CC[C@H](CO)NC(C)c1cc2c(s1)CCC2.
What is the InChIKey of (2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol?
The InChIKey is PWPXUJLEKXAGGG-HCCKASOXSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-11(8-15)14-9(2)13-7-10-5-4-6-12(10)16-13/h7,9,11,14-15H,3-6,8H2,1-2H3/t9?,11-/m1/s1.
What are the key properties of (2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol?
(2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 103922540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).