trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol

C11H16ClNOS — CID 106046578

IUPACtrans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCCc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c12-11-5-4-8(15-11)6-7-13-9-2-1-3-10(9)14/h4-5,9-10,13-14H,1-3,6-7H2/t9-,10-/m0/s1
InChIKeyHDCIRMWBLSKEFZ-UWVGGRQHSA-N
MW245.77 g/mol
LogP2.45
Rot. Bonds4

About trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol

trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol (PubChem CID 106046578) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
PubChem CID106046578
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Nametrans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCCc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c12-11-5-4-8(15-11)6-7-13-9-2-1-3-10(9)14/h4-5,9-10,13-14H,1-3,6-7H2/t9-,10-/m0/s1
InChIKeyHDCIRMWBLSKEFZ-UWVGGRQHSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 114140415
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 106041165
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914266
(2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine
CID 114227927
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
CID 115582706
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide
CID 115977123
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 113260642

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol (CID 106046578) is trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1NCCc1ccc(Cl)s1.
What is the InChIKey of trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol?
The InChIKey is HDCIRMWBLSKEFZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16ClNOS/c12-11-5-4-8(15-11)6-7-13-9-2-1-3-10(9)14/h4-5,9-10,13-14H,1-3,6-7H2/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol has a molecular weight of 245.77 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 106046578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).