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'}

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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).