1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine

C11H18ClNS2 — CID 107359774

IUPAC1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1sccc1Cl
InChIInChI=1S/C11H18ClNS2/c1-4-13-10(7-15-8(2)3)11-9(12)5-6-14-11/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyPAGBZAMYMWEJIM-UHFFFAOYSA-N
MW263.86 g/mol
LogP4.19
Rot. Bonds6

About 1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine

1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine (PubChem CID 107359774) has the molecular formula C11H18ClNS2 and a molecular weight of 263.86 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
PubChem CID107359774
Molecular FormulaC11H18ClNS2
Molecular Weight263.86 g/mol
Exact Mass263.06
IUPAC Name1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1sccc1Cl
InChIInChI=1S/C11H18ClNS2/c1-4-13-10(7-15-8(2)3)11-9(12)5-6-14-11/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyPAGBZAMYMWEJIM-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
CID 107359701
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
1-(3-chlorothiophen-2-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 107361923
N-[1-(3-chlorothiophen-2-yl)-2-propylsulfanylethyl]propan-1-amine
CID 107359771
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 107361703
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 107361859
2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841258

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine (CID 107359774) is 1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine is CCNC(CSC(C)C)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The InChIKey is PAGBZAMYMWEJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNS2/c1-4-13-10(7-15-8(2)3)11-9(12)5-6-14-11/h5-6,8,10,13H,4,7H2,1-3H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine has a molecular weight of 263.86 g/mol, XLogP of 4.19, 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-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 107359774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).