2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine

C16H23NS3 — CID 91595999

IUPAC2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine
SMILESCCCCCCc1ccsc1C(C)Sc1sccc1N
InChIInChI=1S/C16H23NS3/c1-3-4-5-6-7-13-8-10-18-15(13)12(2)20-16-14(17)9-11-19-16/h8-12H,3-7,17H2,1-2H3
InChIKeyZIOKVAKOMHMVRO-UHFFFAOYSA-N
MW325.57 g/mol
LogP6.37
Rot. Bonds8

About 2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine

2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine (PubChem CID 91595999) has the molecular formula C16H23NS3 and a molecular weight of 325.57 g/mol. Its IUPAC name is 2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine
PubChem CID91595999
Molecular FormulaC16H23NS3
Molecular Weight325.57 g/mol
Exact Mass325.10
IUPAC Name2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine
SMILESCCCCCCc1ccsc1C(C)Sc1sccc1N
InChIInChI=1S/C16H23NS3/c1-3-4-5-6-7-13-8-10-18-15(13)12(2)20-16-14(17)9-11-19-16/h8-12H,3-7,17H2,1-2H3
InChIKeyZIOKVAKOMHMVRO-UHFFFAOYSA-N
XLogP6.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.57
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-pentylthiophen-2-yl)propan-1-amine
CID 142603244
3-undecyl-2-[(E)-2-(3-undecylthiophen-2-yl)ethenyl]thiophene
CID 141420064
2,3-didodecylthiophene
CID 66897470
3-(3-hexylthiophen-2-yl)-2,3-dihydroxypropanenitrile
CID 171870744
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
(3-nonylthiophen-2-yl)phosphane
CID 21095664
2-bromo-3-icosylthiophene
CID 141267982
2-bromo-3-dodecylthiophene
CID 10426816
4-amino-1-(3-butylthiophen-2-yl)butane-1,2-diol
CID 171881085
1-(3-ethylthiophen-2-yl)hexan-1-amine
CID 115837119
3-dodecylthiophene-2-sulfonamide
CID 154311081
(3-hexylthiophen-2-yl)-trimethylsilane
CID 11447834

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine?
The IUPAC name of 2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine (CID 91595999) is 2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine.
What is the SMILES notation for 2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine?
The canonical SMILES for 2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine is CCCCCCc1ccsc1C(C)Sc1sccc1N.
What is the InChIKey of 2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine?
The InChIKey is ZIOKVAKOMHMVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS3/c1-3-4-5-6-7-13-8-10-18-15(13)12(2)20-16-14(17)9-11-19-16/h8-12H,3-7,17H2,1-2H3.
What are the key properties of 2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine?
2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine has a molecular weight of 325.57 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine is sourced from PubChem (CID 91595999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).