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

C12H19NOS — CID 102733244

IUPACtrans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
SMILESCc1ccc(C(C)N[C@H]2CCC[C@@H]2O)s1
InChIInChI=1S/C12H19NOS/c1-8-6-7-12(15-8)9(2)13-10-4-3-5-11(10)14/h6-7,9-11,13-14H,3-5H2,1-2H3/t9?,10-,11-/m0/s1
InChIKeyLUOHBYVOSGFGEA-DVRYWGNFSA-N
MW225.36 g/mol
LogP2.62
Rot. Bonds3

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

trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol (PubChem CID 102733244) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
PubChem CID102733244
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Nametrans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
SMILESCc1ccc(C(C)N[C@H]2CCC[C@@H]2O)s1
InChIInChI=1S/C12H19NOS/c1-8-6-7-12(15-8)9(2)13-10-4-3-5-11(10)14/h6-7,9-11,13-14H,3-5H2,1-2H3/t9?,10-,11-/m0/s1
InChIKeyLUOHBYVOSGFGEA-DVRYWGNFSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 2966635
1-{[(5-Methylthiophen-2-yl)methyl]amino}propan-2-ol
CID 3157956
3-{[1-(5-Methylthiophen-2-yl)ethyl]amino}propan-1-ol
CID 43206579
(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
CID 834206
3-(Methylamino)-3-(thiophen-2-yl)propan-1-ol
CID 64813022
2-[(2-{[(5-Methyl-2-thienyl)methyl]amino}ethyl)amino]ethanol
CID 1817922
(5-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 2966636
4-[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]cyclohexan-1-ol
CID 28454617
(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol
CID 75484777
4-[(5-Methylthiophen-2-yl)methylamino]pentan-2-ol
CID 104105621
(2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
CID 834207
2-(5-Methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol (CID 102733244) is trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol is Cc1ccc(C(C)N[C@H]2CCC[C@@H]2O)s1.
What is the InChIKey of trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol?
The InChIKey is LUOHBYVOSGFGEA-DVRYWGNFSA-N. The full InChI is InChI=1S/C12H19NOS/c1-8-6-7-12(15-8)9(2)13-10-4-3-5-11(10)14/h6-7,9-11,13-14H,3-5H2,1-2H3/t9?,10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 102733244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).