1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine

C10H16ClNS2 — CID 107359766

IUPAC1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
SMILESCCNC(CSCC)c1sccc1Cl
InChIInChI=1S/C10H16ClNS2/c1-3-12-9(7-13-4-2)10-8(11)5-6-14-10/h5-6,9,12H,3-4,7H2,1-2H3
InChIKeyXXOMPGGNIVTLNP-UHFFFAOYSA-N
MW249.83 g/mol
LogP3.81
Rot. Bonds6

About 1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine

1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine (PubChem CID 107359766) has the molecular formula C10H16ClNS2 and a molecular weight of 249.83 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
PubChem CID107359766
Molecular FormulaC10H16ClNS2
Molecular Weight249.83 g/mol
Exact Mass249.04
IUPAC Name1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
SMILESCCNC(CSCC)c1sccc1Cl
InChIInChI=1S/C10H16ClNS2/c1-3-12-9(7-13-4-2)10-8(11)5-6-14-10/h5-6,9,12H,3-4,7H2,1-2H3
InChIKeyXXOMPGGNIVTLNP-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
N-[1-(3-chlorothiophen-2-yl)-2-propylsulfanylethyl]propan-1-amine
CID 107359771
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
CID 107359701
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
1-(3-chlorothiophen-2-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 107361923
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 79987744
1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 107360185
2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 107361703

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine (CID 107359766) is 1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine is CCNC(CSCC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine?
The InChIKey is XXOMPGGNIVTLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNS2/c1-3-12-9(7-13-4-2)10-8(11)5-6-14-10/h5-6,9,12H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine?
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine has a molecular weight of 249.83 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine is sourced from PubChem (CID 107359766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).