2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol

C13H21NOS — CID 115891358

IUPAC2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol
SMILESCCC(Cc1cccs1)NC1CCCC1O
InChIInChI=1S/C13H21NOS/c1-2-10(9-11-5-4-8-16-11)14-12-6-3-7-13(12)15/h4-5,8,10,12-15H,2-3,6-7,9H2,1H3
InChIKeyXHSWRYDIRQFMOM-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.57
Rot. Bonds5

About 2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol

2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol (PubChem CID 115891358) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol
PubChem CID115891358
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol
SMILESCCC(Cc1cccs1)NC1CCCC1O
InChIInChI=1S/C13H21NOS/c1-2-10(9-11-5-4-8-16-11)14-12-6-3-7-13(12)15/h4-5,8,10,12-15H,2-3,6-7,9H2,1H3
InChIKeyXHSWRYDIRQFMOM-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine
CID 115889479
trans-(1R,2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentan-1-ol
CID 102733840
trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine
CID 124856722
trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 102733097
2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine
CID 115727693
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
[1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol
CID 115927963
2-(heptan-4-ylamino)cyclopentan-1-ol
CID 115677217
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol
CID 54963529
2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol
CID 115927429

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol?
The IUPAC name of 2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol (CID 115891358) is 2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for 2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for 2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol is CCC(Cc1cccs1)NC1CCCC1O.
What is the InChIKey of 2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol?
The InChIKey is XHSWRYDIRQFMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-10(9-11-5-4-8-16-11)14-12-6-3-7-13(12)15/h4-5,8,10,12-15H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol?
2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 115891358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).