N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine

C15H21NOS2 — CID 115724259

IUPACN-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine
SMILESCCOC(C)CNC(Cc1cccs1)c1cccs1
InChIInChI=1S/C15H21NOS2/c1-3-17-12(2)11-16-14(15-7-5-9-19-15)10-13-6-4-8-18-13/h4-9,12,14,16H,3,10-11H2,1-2H3
InChIKeyIDDRENBHDNROHH-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.11
Rot. Bonds8

About N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine

N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine (PubChem CID 115724259) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine
PubChem CID115724259
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC NameN-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine
SMILESCCOC(C)CNC(Cc1cccs1)c1cccs1
InChIInChI=1S/C15H21NOS2/c1-3-17-12(2)11-16-14(15-7-5-9-19-15)10-13-6-4-8-18-13/h4-9,12,14,16H,3,10-11H2,1-2H3
InChIKeyIDDRENBHDNROHH-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol
CID 115719311
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
CID 43771514
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
CID 103787056
(2S)-2-(1,2-dithiophen-2-ylethylamino)-3-methylbutan-1-ol
CID 79254175
N-[(4-bromophenyl)methyl]-1,2-dithiophen-2-ylethanamine
CID 60781438
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
CID 61044447

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine?
The IUPAC name of N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine (CID 115724259) is N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine.
What is the SMILES notation for N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine?
The canonical SMILES for N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine is CCOC(C)CNC(Cc1cccs1)c1cccs1.
What is the InChIKey of N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine?
The InChIKey is IDDRENBHDNROHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS2/c1-3-17-12(2)11-16-14(15-7-5-9-19-15)10-13-6-4-8-18-13/h4-9,12,14,16H,3,10-11H2,1-2H3.
What are the key properties of N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine?
N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine is sourced from PubChem (CID 115724259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).