2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine

C13H24N4S — CID 52504091

IUPAC2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine
SMILESCCNC(=NC[C@@H](c1cccs1)N(C)C)NCC
InChIInChI=1S/C13H24N4S/c1-5-14-13(15-6-2)16-10-11(17(3)4)12-8-7-9-18-12/h7-9,11H,5-6,10H2,1-4H3,(H2,14,15,16)/t11-/m0/s1
InChIKeyDAIATYQGLZSONG-NSHDSACASA-N
MW268.43 g/mol
LogP1.93
Rot. Bonds6

About 2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine

2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine (PubChem CID 52504091) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine.

Molecular Properties

Compound Name2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine
PubChem CID52504091
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine
SMILESCCNC(=NC[C@@H](c1cccs1)N(C)C)NCC
InChIInChI=1S/C13H24N4S/c1-5-14-13(15-6-2)16-10-11(17(3)4)12-8-7-9-18-12/h7-9,11H,5-6,10H2,1-4H3,(H2,14,15,16)/t11-/m0/s1
InChIKeyDAIATYQGLZSONG-NSHDSACASA-N
XLogP1.93
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine?
The IUPAC name of 2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine (CID 52504091) is 2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine.
What is the SMILES notation for 2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine?
The canonical SMILES for 2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine is CCNC(=NC[C@@H](c1cccs1)N(C)C)NCC.
What is the InChIKey of 2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine?
The InChIKey is DAIATYQGLZSONG-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4S/c1-5-14-13(15-6-2)16-10-11(17(3)4)12-8-7-9-18-12/h7-9,11H,5-6,10H2,1-4H3,(H2,14,15,16)/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine?
2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine has a molecular weight of 268.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine is sourced from PubChem (CID 52504091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).