1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol

C13H21NOS — CID 115907531

IUPAC1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
SMILESCC(O)(CNCC1CCCC1)c1ccsc1
InChIInChI=1S/C13H21NOS/c1-13(15,12-6-7-16-9-12)10-14-8-11-4-2-3-5-11/h6-7,9,11,14-15H,2-5,8,10H2,1H3
InChIKeyLMKSBVAFXDPBHM-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.74
Rot. Bonds5

About 1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol

1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol (PubChem CID 115907531) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
PubChem CID115907531
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
SMILESCC(O)(CNCC1CCCC1)c1ccsc1
InChIInChI=1S/C13H21NOS/c1-13(15,12-6-7-16-9-12)10-14-8-11-4-2-3-5-11/h6-7,9,11,14-15H,2-5,8,10H2,1H3
InChIKeyLMKSBVAFXDPBHM-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol
CID 111755705
N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
CID 109477004
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-(cyclopropylmethyl)-3-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine
CID 111653750
bis(methylamino)-thiophen-3-ylmethanol
CID 126493654
1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449467
1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449551
(2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide
CID 96567072
2-[[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methyl]-6-methoxyphenol
CID 111449494
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide
CID 71979797

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol (CID 115907531) is 1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol is CC(O)(CNCC1CCCC1)c1ccsc1.
What is the InChIKey of 1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol?
The InChIKey is LMKSBVAFXDPBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-13(15,12-6-7-16-9-12)10-14-8-11-4-2-3-5-11/h6-7,9,11,14-15H,2-5,8,10H2,1H3.
What are the key properties of 1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol?
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol has a molecular weight of 239.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 115907531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).