4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine

C13H25N3S — CID 136948806

IUPAC4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CCCN2CCCC2)NC1C
InChIInChI=1S/C13H25N3S/c1-11-10-17-13(15-12(11)2)14-6-5-9-16-7-3-4-8-16/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyHMFLBJDPZNNLPG-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.19
Rot. Bonds4

About 4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine

4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine (PubChem CID 136948806) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine
PubChem CID136948806
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CCCN2CCCC2)NC1C
InChIInChI=1S/C13H25N3S/c1-11-10-17-13(15-12(11)2)14-6-5-9-16-7-3-4-8-16/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyHMFLBJDPZNNLPG-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine
CID 136948772
4,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136948900
N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136857894
4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
CID 136948828
4,5-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-thiazinan-2-imine
CID 136765003
4,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine
CID 137002762
N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine
CID 136948792
4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879360
4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136948867
N-(2-ethylbutyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136960712
N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 164654580
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934635

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine (CID 136948806) is 4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine is CC1CS/C(=N\CCCN2CCCC2)NC1C.
What is the InChIKey of 4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine?
The InChIKey is HMFLBJDPZNNLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-11-10-17-13(15-12(11)2)14-6-5-9-16-7-3-4-8-16/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine?
4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine has a molecular weight of 255.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136948806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).