1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine

C13H20ClNS2 — CID 107361859

IUPAC1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
SMILESCCNC(CC1CCSCC1)c1sccc1Cl
InChIInChI=1S/C13H20ClNS2/c1-2-15-12(13-11(14)5-8-17-13)9-10-3-6-16-7-4-10/h5,8,10,12,15H,2-4,6-7,9H2,1H3
InChIKeyWUPRUEIVYQRMIV-UHFFFAOYSA-N
MW289.90 g/mol
LogP4.59
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine

1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine (PubChem CID 107361859) has the molecular formula C13H20ClNS2 and a molecular weight of 289.90 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
PubChem CID107361859
Molecular FormulaC13H20ClNS2
Molecular Weight289.90 g/mol
Exact Mass289.07
IUPAC Name1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
SMILESCCNC(CC1CCSCC1)c1sccc1Cl
InChIInChI=1S/C13H20ClNS2/c1-2-15-12(13-11(14)5-8-17-13)9-10-3-6-16-7-4-10/h5,8,10,12,15H,2-4,6-7,9H2,1H3
InChIKeyWUPRUEIVYQRMIV-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.90
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
1-(3,4-dichlorophenyl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 105077128
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 107360148
N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163244
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 103406220
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
1-(3-chlorothiophen-2-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 107361923
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
CID 107359701
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine (CID 107361859) is 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine is CCNC(CC1CCSCC1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine?
The InChIKey is WUPRUEIVYQRMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS2/c1-2-15-12(13-11(14)5-8-17-13)9-10-3-6-16-7-4-10/h5,8,10,12,15H,2-4,6-7,9H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine?
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine has a molecular weight of 289.90 g/mol, XLogP of 4.59, 5 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-(thian-4-yl)ethanamine is sourced from PubChem (CID 107361859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).