2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol

C12H18ClNOS — CID 111425399

IUPAC2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol
SMILESOC(CNCc1ccc(Cl)s1)C1CCCC1
InChIInChI=1S/C12H18ClNOS/c13-12-6-5-10(16-12)7-14-8-11(15)9-3-1-2-4-9/h5-6,9,11,14-15H,1-4,7-8H2
InChIKeyGBIJEWVVZHDQHK-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.04
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol

2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol (PubChem CID 111425399) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol
PubChem CID111425399
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol
SMILESOC(CNCc1ccc(Cl)s1)C1CCCC1
InChIInChI=1S/C12H18ClNOS/c13-12-6-5-10(16-12)7-14-8-11(15)9-3-1-2-4-9/h5-6,9,11,14-15H,1-4,7-8H2
InChIKeyGBIJEWVVZHDQHK-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894664
1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 60744396
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
2-(benzylamino)-1-cyclohexylethanol
CID 14342015
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570073
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904677
1-cyclopentyl-2-[(4-fluorophenyl)methylamino]ethanol
CID 111425447
1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride
CID 115608900
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide
CID 95632333
1-(5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
CID 83228817
2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
CID 65398933
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115785914

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol (CID 111425399) is 2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol is OC(CNCc1ccc(Cl)s1)C1CCCC1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol?
The InChIKey is GBIJEWVVZHDQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c13-12-6-5-10(16-12)7-14-8-11(15)9-3-1-2-4-9/h5-6,9,11,14-15H,1-4,7-8H2.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol?
2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol has a molecular weight of 259.80 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol is sourced from PubChem (CID 111425399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).