N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide

C13H25N3OS — CID 136933416

IUPACN,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
SMILESCCC1CCS/C(=N\CCC(=O)N(CC)CC)N1
InChIInChI=1S/C13H25N3OS/c1-4-11-8-10-18-13(15-11)14-9-7-12(17)16(5-2)6-3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyYBJACLJLHMHIQU-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.11
Rot. Bonds6

About N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide

N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide (PubChem CID 136933416) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
PubChem CID136933416
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
SMILESCCC1CCS/C(=N\CCC(=O)N(CC)CC)N1
InChIInChI=1S/C13H25N3OS/c1-4-11-8-10-18-13(15-11)14-9-7-12(17)16(5-2)6-3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyYBJACLJLHMHIQU-UHFFFAOYSA-N
XLogP2.11
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide 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-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136933414
4-ethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 136933434
4-ethyl-N-(3-propoxypropyl)-1,3-thiazinan-2-imine
CID 136933402
N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136848164
1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
CID 136933263
N-(2,3-dimethylbutyl)-4-ethyl-1,3-thiazinan-2-imine
CID 136933357
4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine
CID 136933429
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine
CID 136933344
N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine
CID 135934622
4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine
CID 136933339
4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine
CID 135973739
5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide
CID 136805725

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide (CID 136933416) is N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide is CCC1CCS/C(=N\CCC(=O)N(CC)CC)N1.
What is the InChIKey of N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
The InChIKey is YBJACLJLHMHIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-4-11-8-10-18-13(15-11)14-9-7-12(17)16(5-2)6-3/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide has a molecular weight of 271.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide is sourced from PubChem (CID 136933416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).