2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol

C12H19NO2S — CID 62518997

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol
SMILESOCC1(NCC(O)c2cccs2)CCCC1
InChIInChI=1S/C12H19NO2S/c14-9-12(5-1-2-6-12)13-8-10(15)11-4-3-7-16-11/h3-4,7,10,13-15H,1-2,5-6,8-9H2
InChIKeyBSFDAZSRTGHDLF-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.68
Rot. Bonds5

About 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol

2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol (PubChem CID 62518997) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol
PubChem CID62518997
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol
SMILESOCC1(NCC(O)c2cccs2)CCCC1
InChIInChI=1S/C12H19NO2S/c14-9-12(5-1-2-6-12)13-8-10(15)11-4-3-7-16-11/h3-4,7,10,13-15H,1-2,5-6,8-9H2
InChIKeyBSFDAZSRTGHDLF-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 61054389
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
CID 61056403
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
CID 65314705
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
CID 79861440
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol
CID 62516876
(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
2-[(2-methylpropan-2-yl)oxyamino]-1-thiophen-2-ylethanol
CID 82724870
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
2-(2-piperidin-1-ylethylamino)-1-thiophen-2-ylethanol
CID 60970344

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol (CID 62518997) is 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol is OCC1(NCC(O)c2cccs2)CCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol?
The InChIKey is BSFDAZSRTGHDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c14-9-12(5-1-2-6-12)13-8-10(15)11-4-3-7-16-11/h3-4,7,10,13-15H,1-2,5-6,8-9H2.
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol?
2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol has a molecular weight of 241.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 62518997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).