(3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine

C11H20N2S2 — CID 115388967

IUPAC(3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(/C1SCCSC1C)N1CCCCC1
InChIInChI=1S/C11H20N2S2/c1-9-10(15-8-7-14-9)11(12)13-5-3-2-4-6-13/h9-10,12H,2-8H2,1H3/b12-11-
InChIKeyCADPECXUKSNTQD-QXMHVHEDSA-N
MW244.43 g/mol
LogP2.69
Rot. Bonds1

About (3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine

(3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine (PubChem CID 115388967) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is (3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine
PubChem CID115388967
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name(3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(/C1SCCSC1C)N1CCCCC1
InChIInChI=1S/C11H20N2S2/c1-9-10(15-8-7-14-9)11(12)13-5-3-2-4-6-13/h9-10,12H,2-8H2,1H3/b12-11-
InChIKeyCADPECXUKSNTQD-QXMHVHEDSA-N
XLogP2.69
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine
CID 115388965
cyclobutyl(piperidin-1-yl)methanimine
CID 64985801
(2-methylcyclopentyl)-piperidin-1-ylmethanimine
CID 131031712
cyclopentyl-(4-methylazepan-1-yl)methanimine
CID 63625841
cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine
CID 130616752
cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine
CID 65286944
cyclobutyl-(4-methylpiperazin-1-yl)methanimine
CID 64985856
ethane;1-piperidin-1-ylethanimine
CID 142132316
cyclopropyl(1,4-oxazepan-4-yl)methanimine
CID 63181568
piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine
CID 65404688
3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine
CID 55159975
cyclopentyl(1,4-oxazepan-4-yl)methanimine
CID 63181570

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine?
The IUPAC name of (3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine (CID 115388967) is (3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine.
What is the SMILES notation for (3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine?
The canonical SMILES for (3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine is [H]/N=C(/C1SCCSC1C)N1CCCCC1.
What is the InChIKey of (3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine?
The InChIKey is CADPECXUKSNTQD-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-9-10(15-8-7-14-9)11(12)13-5-3-2-4-6-13/h9-10,12H,2-8H2,1H3/b12-11-.
What are the key properties of (3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine?
(3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine has a molecular weight of 244.43 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,4-dithian-2-yl)-piperidin-1-ylmethanimine is sourced from PubChem (CID 115388967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).