6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

C22H27NOS2 — CID 57322034

IUPAC6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESO=C1CCCC2=C1CCC(N(CCc1cccs1)CCc1cccs1)C2
InChIInChI=1S/C22H27NOS2/c24-22-7-1-4-17-16-18(8-9-21(17)22)23(12-10-19-5-2-14-25-19)13-11-20-6-3-15-26-20/h2-3,5-6,14-15,18H,1,4,7-13,16H2
InChIKeyPYTBNDYAPZTFNL-UHFFFAOYSA-N
MW385.60 g/mol
LogP5.50
Rot. Bonds7

About 6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (PubChem CID 57322034) has the molecular formula C22H27NOS2 and a molecular weight of 385.60 g/mol. Its IUPAC name is 6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
PubChem CID57322034
Molecular FormulaC22H27NOS2
Molecular Weight385.60 g/mol
Exact Mass385.15
IUPAC Name6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESO=C1CCCC2=C1CCC(N(CCc1cccs1)CCc1cccs1)C2
InChIInChI=1S/C22H27NOS2/c24-22-7-1-4-17-16-18(8-9-21(17)22)23(12-10-19-5-2-14-25-19)13-11-20-6-3-15-26-20/h2-3,5-6,14-15,18H,1,4,7-13,16H2
InChIKeyPYTBNDYAPZTFNL-UHFFFAOYSA-N
XLogP5.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one with MolForge

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Related Compounds

6-[propyl(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 10947071
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047
(Z)-but-2-enedioic acid;6-[butyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 70114751
hydrogen phosphate;bis((6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol)
CID 50916842
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] cyclohexanecarboxylate
CID 118668418
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186
5-methoxy-N-(2-thiophen-2-ylethyl)-N-(3,3,3-trideuteriopropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 71752120
[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] benzoate
CID 118668198
2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63773659
(6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 169439623
[(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] 2-amino-2-hydroxyacetate
CID 146526991

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The IUPAC name of 6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (CID 57322034) is 6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is O=C1CCCC2=C1CCC(N(CCc1cccs1)CCc1cccs1)C2.
What is the InChIKey of 6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The InChIKey is PYTBNDYAPZTFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NOS2/c24-22-7-1-4-17-16-18(8-9-21(17)22)23(12-10-19-5-2-14-25-19)13-11-20-6-3-15-26-20/h2-3,5-6,14-15,18H,1,4,7-13,16H2.
What are the key properties of 6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one has a molecular weight of 385.60 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is sourced from PubChem (CID 57322034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).