N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine

C11H19NS2 — CID 104668568

IUPACN-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
SMILESCCSCCNC(C)Cc1cccs1
InChIInChI=1S/C11H19NS2/c1-3-13-8-6-12-10(2)9-11-5-4-7-14-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3
InChIKeyMTEJPNVGJUHPNV-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.02
Rot. Bonds7

About N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine

N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine (PubChem CID 104668568) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
PubChem CID104668568
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC NameN-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
SMILESCCSCCNC(C)Cc1cccs1
InChIInChI=1S/C11H19NS2/c1-3-13-8-6-12-10(2)9-11-5-4-7-14-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3
InChIKeyMTEJPNVGJUHPNV-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-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

N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
CID 115890239
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
CID 114385022
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103178999
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 113442346
N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 60765676
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 64800130
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103778177

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine (CID 104668568) is N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine is CCSCCNC(C)Cc1cccs1.
What is the InChIKey of N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is MTEJPNVGJUHPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-3-13-8-6-12-10(2)9-11-5-4-7-14-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3.
What are the key properties of N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine?
N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 104668568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).