N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine

C12H21NOS2 — CID 62579007

IUPACN-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESCCOCCCNCC(C)Sc1cccs1
InChIInChI=1S/C12H21NOS2/c1-3-14-8-5-7-13-10-11(2)16-12-6-4-9-15-12/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3
InChIKeyOYXMABDBABIIFM-UHFFFAOYSA-N
MW259.44 g/mol
LogP3.24
Rot. Bonds9

About N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine

N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine (PubChem CID 62579007) has the molecular formula C12H21NOS2 and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine
PubChem CID62579007
Molecular FormulaC12H21NOS2
Molecular Weight259.44 g/mol
Exact Mass259.11
IUPAC NameN-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESCCOCCCNCC(C)Sc1cccs1
InChIInChI=1S/C12H21NOS2/c1-3-14-8-5-7-13-10-11(2)16-12-6-4-9-15-12/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3
InChIKeyOYXMABDBABIIFM-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Morpholine;thiophene
CID 22988041
N-(3-(thiophen-2-ylthio)propyl)acetamide
CID 58169495
N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
CID 61385802
N-(thiophen-2-ylsulfanylmethyl)propan-1-amine
CID 66909473
2-[2,3-dihydrothiophen-5-yl(thiophen-2-yl)boranyl]oxy-N-methylethanamine
CID 68321342
Morpholine;propane;thiophene
CID 174785720
2,6-Dimethylmorpholine;thiophene
CID 174922010
4-(Ethylamino)butan-2-ol;thiophene
CID 175081184
4-(Methylamino)butan-2-ol;thiophene
CID 175349022
(3-Ethoxypropyl)(thiophen-3-ylmethyl)amine
CID 4723844
diethyl-[(2S)-2-hydroxy-3-thiophen-2-ylsulfanylpropyl]azanium
CID 6932302
[(2S)-2-hydroxy-3-thiophen-2-ylsulfanylpropyl]-prop-2-enylazanium
CID 7004666

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine (CID 62579007) is N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine is CCOCCCNCC(C)Sc1cccs1.
What is the InChIKey of N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
The InChIKey is OYXMABDBABIIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS2/c1-3-14-8-5-7-13-10-11(2)16-12-6-4-9-15-12/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 62579007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).