trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol

C13H21NOS — CID 102734532

IUPACtrans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
SMILESCC(C)N(Cc1cccs1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C13H21NOS/c1-10(2)14(9-11-5-4-8-16-11)12-6-3-7-13(12)15/h4-5,8,10,12-13,15H,3,6-7,9H2,1-2H3/t12-,13-/m1/s1
InChIKeyGLGMEVPANYRBCL-CHWSQXEVSA-N
MW239.38 g/mol
LogP2.87
Rot. Bonds4

About trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol (PubChem CID 102734532) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
PubChem CID102734532
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Nametrans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
SMILESCC(C)N(Cc1cccs1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C13H21NOS/c1-10(2)14(9-11-5-4-8-16-11)12-6-3-7-13(12)15/h4-5,8,10,12-13,15H,3,6-7,9H2,1-2H3/t12-,13-/m1/s1
InChIKeyGLGMEVPANYRBCL-CHWSQXEVSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]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

1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine
CID 54946732
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
CID 61449195
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 62327409
2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80998776
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one
CID 64868203
3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
CID 64688568

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol (CID 102734532) is trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol is CC(C)N(Cc1cccs1)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol?
The InChIKey is GLGMEVPANYRBCL-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(2)14(9-11-5-4-8-16-11)12-6-3-7-13(12)15/h4-5,8,10,12-13,15H,3,6-7,9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).