1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol

C13H21NOS — CID 115689454

IUPAC1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol
SMILESCC1CCCC1NCC(C)(O)c1cccs1
InChIInChI=1S/C13H21NOS/c1-10-5-3-6-11(10)14-9-13(2,15)12-7-4-8-16-12/h4,7-8,10-11,14-15H,3,5-6,9H2,1-2H3
InChIKeyNCELGLFKFPEXQT-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.73
Rot. Bonds4

About 1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol

1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 115689454) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol
PubChem CID115689454
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol
SMILESCC1CCCC1NCC(C)(O)c1cccs1
InChIInChI=1S/C13H21NOS/c1-10-5-3-6-11(10)14-9-13(2,15)12-7-4-8-16-12/h4,7-8,10-11,14-15H,3,5-6,9H2,1-2H3
InChIKeyNCELGLFKFPEXQT-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 115751394
1-[(2-methylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 63277919
2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526151
(2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol
CID 124861861
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
CID 80526507
1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111467106
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80526208
1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
tert-butyl (3R)-3-[[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]amino]pyrrolidine-1-carboxylate
CID 97071807
2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526033

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol (CID 115689454) is 1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol is CC1CCCC1NCC(C)(O)c1cccs1.
What is the InChIKey of 1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is NCELGLFKFPEXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-5-3-6-11(10)14-9-13(2,15)12-7-4-8-16-12/h4,7-8,10-11,14-15H,3,5-6,9H2,1-2H3.
What are the key properties of 1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol?
1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 239.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 115689454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).