2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol

C11H18ClNOS2 — CID 115894315

IUPAC2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CO)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS2/c1-8(10-3-4-11(12)16-10)13-9(7-14)5-6-15-2/h3-4,8-9,13-14H,5-7H2,1-2H3
InChIKeyADAAEEIYELSQQG-UHFFFAOYSA-N
MW279.86 g/mol
LogP3.17
Rot. Bonds7

About 2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol

2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol (PubChem CID 115894315) has the molecular formula C11H18ClNOS2 and a molecular weight of 279.86 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
PubChem CID115894315
Molecular FormulaC11H18ClNOS2
Molecular Weight279.86 g/mol
Exact Mass279.05
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CO)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS2/c1-8(10-3-4-11(12)16-10)13-9(7-14)5-6-15-2/h3-4,8-9,13-14H,5-7H2,1-2H3
InChIKeyADAAEEIYELSQQG-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43432672
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43438937
2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 82286142
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
(4S)-4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-4-phenylbutan-1-ol
CID 97322792
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
[1-(5-chlorothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295965
3-(5-chlorothiophen-2-yl)butan-1-ol
CID 82075571
2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55620504

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol (CID 115894315) is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol is CSCCC(CO)NC(C)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol?
The InChIKey is ADAAEEIYELSQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS2/c1-8(10-3-4-11(12)16-10)13-9(7-14)5-6-15-2/h3-4,8-9,13-14H,5-7H2,1-2H3.
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol?
2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol has a molecular weight of 279.86 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 115894315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).