1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol

C15H18ClNO2S2 — CID 111469636

IUPAC1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol
SMILESCOc1ccc(CNCC(O)c2ccc(Cl)s2)cc1SC
InChIInChI=1S/C15H18ClNO2S2/c1-19-12-4-3-10(7-14(12)20-2)8-17-9-11(18)13-5-6-15(16)21-13/h3-7,11,17-18H,8-9H2,1-2H3
InChIKeyDTIUKIMYTYJHOP-UHFFFAOYSA-N
MW343.90 g/mol
LogP3.96
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol

1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol (PubChem CID 111469636) has the molecular formula C15H18ClNO2S2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol
PubChem CID111469636
Molecular FormulaC15H18ClNO2S2
Molecular Weight343.90 g/mol
Exact Mass343.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol
SMILESCOc1ccc(CNCC(O)c2ccc(Cl)s2)cc1SC
InChIInChI=1S/C15H18ClNO2S2/c1-19-12-4-3-10(7-14(12)20-2)8-17-9-11(18)13-5-6-15(16)21-13/h3-7,11,17-18H,8-9H2,1-2H3
InChIKeyDTIUKIMYTYJHOP-UHFFFAOYSA-N
XLogP3.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111463156
N-methoxy-1-(4-methoxy-3-methylsulfanylphenyl)methanamine
CID 117304519
(2R)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]propan-2-ol
CID 103884180
N-[(4-methoxy-3-methylsulfanylphenyl)methyl]butan-1-amine
CID 115625509
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol
CID 111469547
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579392
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol
CID 110885649
1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119108

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol (CID 111469636) is 1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol is COc1ccc(CNCC(O)c2ccc(Cl)s2)cc1SC.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol?
The InChIKey is DTIUKIMYTYJHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S2/c1-19-12-4-3-10(7-14(12)20-2)8-17-9-11(18)13-5-6-15(16)21-13/h3-7,11,17-18H,8-9H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol?
1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol has a molecular weight of 343.90 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol is sourced from PubChem (CID 111469636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).