3-methyl-N-phenyl-1,3-thiazinan-2-imine

C11H14N2S — CID 12830067

IUPAC3-methyl-N-phenyl-1,3-thiazinan-2-imine
SMILESCN1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C11H14N2S/c1-13-8-5-9-14-11(13)12-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3/b12-11-
InChIKeyKEFQXDIEUHYWEF-QXMHVHEDSA-N
MW206.31 g/mol
LogP2.74
Rot. Bonds1

About 3-methyl-N-phenyl-1,3-thiazinan-2-imine

3-methyl-N-phenyl-1,3-thiazinan-2-imine (PubChem CID 12830067) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-methyl-N-phenyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name3-methyl-N-phenyl-1,3-thiazinan-2-imine
PubChem CID12830067
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name3-methyl-N-phenyl-1,3-thiazinan-2-imine
SMILESCN1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C11H14N2S/c1-13-8-5-9-14-11(13)12-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3/b12-11-
InChIKeyKEFQXDIEUHYWEF-QXMHVHEDSA-N
XLogP2.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-Ethyl-N-Phenyl-Isothiourea
CID 347590
N-Phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 605734
5-Methyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383595
S-ethyl-1-phenylisothiourea hydroiodide
CID 20226089
ethyl N-phenyl-4-morpholinecarbimidothioate
CID 18558755
N-phenyl-N-(1,3-thiazepan-2-ylidene)amine
CID 904164
N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine hydro
CID 24747414
3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 16196215
(Z)-methyl 5,5-dimethyl-2-(phenylimino)-1,3-thiazinane-3-carbodithioate
CID 44441194
(Z)-methyl 5,5-dimethyl-2-(o-tolylimino)-1,3-thiazinane-3-carbodithioate
CID 44441195
(Z)-methyl 2-(2-ethylphenylimino)-5,5-dimethyl-1,3-thiazinane-3-carbodithioate
CID 44441197
(Z)-methyl 5,5-dimethyl-2-(2-propylphenylimino)-1,3-thiazinane-3-carbodithioate
CID 44441198

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-1,3-thiazinan-2-imine?
The IUPAC name of 3-methyl-N-phenyl-1,3-thiazinan-2-imine (CID 12830067) is 3-methyl-N-phenyl-1,3-thiazinan-2-imine.
What is the SMILES notation for 3-methyl-N-phenyl-1,3-thiazinan-2-imine?
The canonical SMILES for 3-methyl-N-phenyl-1,3-thiazinan-2-imine is CN1CCCS/C1=N\c1ccccc1.
What is the InChIKey of 3-methyl-N-phenyl-1,3-thiazinan-2-imine?
The InChIKey is KEFQXDIEUHYWEF-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H14N2S/c1-13-8-5-9-14-11(13)12-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3/b12-11-.
What are the key properties of 3-methyl-N-phenyl-1,3-thiazinan-2-imine?
3-methyl-N-phenyl-1,3-thiazinan-2-imine has a molecular weight of 206.31 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 12830067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).