N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine

C14H27N3S — CID 136984950

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCCN1CCC(C/N=C2/NC(C)(C)CCS2)CC1
InChIInChI=1S/C14H27N3S/c1-4-17-8-5-12(6-9-17)11-15-13-16-14(2,3)7-10-18-13/h12H,4-11H2,1-3H3,(H,15,16)
InChIKeyNOULUXTYMNGYBE-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.58
Rot. Bonds3

About N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine

N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136984950) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
PubChem CID136984950
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCCN1CCC(C/N=C2/NC(C)(C)CCS2)CC1
InChIInChI=1S/C14H27N3S/c1-4-17-8-5-12(6-9-17)11-15-13-16-14(2,3)7-10-18-13/h12H,4-11H2,1-3H3,(H,15,16)
InChIKeyNOULUXTYMNGYBE-UHFFFAOYSA-N
XLogP2.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.58
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-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine (CID 136984950) is N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine is CCN1CCC(C/N=C2/NC(C)(C)CCS2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is NOULUXTYMNGYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-4-17-8-5-12(6-9-17)11-15-13-16-14(2,3)7-10-18-13/h12H,4-11H2,1-3H3,(H,15,16).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 269.46 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136984950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).