N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide

C13H26N2OS — CID 80528101

IUPACN,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCC1(C)CCCS1
InChIInChI=1S/C13H26N2OS/c1-5-15(6-2)12(16)11(3)14-10-13(4)8-7-9-17-13/h11,14H,5-10H2,1-4H3
InChIKeyGCFIVMLDHUNDBZ-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.12
Rot. Bonds6

About N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide

N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide (PubChem CID 80528101) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
PubChem CID80528101
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCC1(C)CCCS1
InChIInChI=1S/C13H26N2OS/c1-5-15(6-2)12(16)11(3)14-10-13(4)8-7-9-17-13/h11,14H,5-10H2,1-4H3
InChIKeyGCFIVMLDHUNDBZ-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide (CID 80528101) is N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide is CCN(CC)C(=O)C(C)NCC1(C)CCCS1.
What is the InChIKey of N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The InChIKey is GCFIVMLDHUNDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-5-15(6-2)12(16)11(3)14-10-13(4)8-7-9-17-13/h11,14H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide has a molecular weight of 258.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide is sourced from PubChem (CID 80528101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).