N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

C13H16ClNS2 — CID 80645193

IUPACN-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1sccc1Cl
InChIInChI=1S/C13H16ClNS2/c1-2-5-15-12(8-10-3-6-16-9-10)13-11(14)4-7-17-13/h3-4,6-7,9,12,15H,2,5,8H2,1H3
InChIKeyGZKDZNMELIVKGT-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.75
Rot. Bonds6

About N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 80645193) has the molecular formula C13H16ClNS2 and a molecular weight of 285.86 g/mol. Its IUPAC name is N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID80645193
Molecular FormulaC13H16ClNS2
Molecular Weight285.86 g/mol
Exact Mass285.04
IUPAC NameN-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1sccc1Cl
InChIInChI=1S/C13H16ClNS2/c1-2-5-15-12(8-10-3-6-16-9-10)13-11(14)4-7-17-13/h3-4,6-7,9,12,15H,2,5,8H2,1H3
InChIKeyGZKDZNMELIVKGT-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 105014714
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 80529345
1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819887
N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 105037954
N-[1-(3-chlorothiophen-2-yl)-2-propylsulfanylethyl]propan-1-amine
CID 107359771
N-[1-(3-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethyl]propan-1-amine
CID 80529432
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 107945517
N-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 104998837

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (CID 80645193) is N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1sccc1Cl.
What is the InChIKey of N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is GZKDZNMELIVKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNS2/c1-2-5-15-12(8-10-3-6-16-9-10)13-11(14)4-7-17-13/h3-4,6-7,9,12,15H,2,5,8H2,1H3.
What are the key properties of N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 285.86 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 80645193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).