3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol

C12H19NO2S — CID 115976768

IUPAC3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC(O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-12(2)10(6-11(12)15)13-7-8(14)9-4-3-5-16-9/h3-5,8,10-11,13-15H,6-7H2,1-2H3
InChIKeyJDEMCNXARQFGPU-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.53
Rot. Bonds4

About 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 115976768) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID115976768
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC(O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-12(2)10(6-11(12)15)13-7-8(14)9-4-3-5-16-9/h3-5,8,10-11,13-15H,6-7H2,1-2H3
InChIKeyJDEMCNXARQFGPU-UHFFFAOYSA-N
XLogP1.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
CID 79861440
2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol
CID 112633907
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 112633243
2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol
CID 81339661
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
benzyl 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoate
CID 106484201
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114629454
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220
2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol
CID 112634022
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol (CID 115976768) is 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCC(O)c1cccs1.
What is the InChIKey of 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is JDEMCNXARQFGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2)10(6-11(12)15)13-7-8(14)9-4-3-5-16-9/h3-5,8,10-11,13-15H,6-7H2,1-2H3.
What are the key properties of 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 115976768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).