N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine

C14H21N3S — CID 136993359

IUPACN-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCc1cccc(C/N=C2/NC(C(C)C)CCS2)n1
InChIInChI=1S/C14H21N3S/c1-10(2)13-7-8-18-14(17-13)15-9-12-6-4-5-11(3)16-12/h4-6,10,13H,7-9H2,1-3H3,(H,15,17)
InChIKeyXYFZPKDIZBXDRY-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.00
Rot. Bonds3

About N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine

N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136993359) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136993359
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCc1cccc(C/N=C2/NC(C(C)C)CCS2)n1
InChIInChI=1S/C14H21N3S/c1-10(2)13-7-8-18-14(17-13)15-9-12-6-4-5-11(3)16-12/h4-6,10,13H,7-9H2,1-3H3,(H,15,17)
InChIKeyXYFZPKDIZBXDRY-UHFFFAOYSA-N
XLogP3.00
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993350
4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine
CID 136848013
N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136848100
N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848231
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848437
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848547
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848598
2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine
CID 63352873
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
N'-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboximidamide
CID 63175747

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136993359) is N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is Cc1cccc(C/N=C2/NC(C(C)C)CCS2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is XYFZPKDIZBXDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10(2)13-7-8-18-14(17-13)15-9-12-6-4-5-11(3)16-12/h4-6,10,13H,7-9H2,1-3H3,(H,15,17).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 263.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136993359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).