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

C10H18N2S2 — CID 115388965

IUPAC(3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(/C1SCCSC1C)N1CCCC1
InChIInChI=1S/C10H18N2S2/c1-8-9(14-7-6-13-8)10(11)12-4-2-3-5-12/h8-9,11H,2-7H2,1H3/b11-10-
InChIKeyKYNHTOALBUYMPP-KHPPLWFESA-N
MW230.40 g/mol
LogP2.30
Rot. Bonds1

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

(3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine (PubChem CID 115388965) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is (3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine
PubChem CID115388965
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name(3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(/C1SCCSC1C)N1CCCC1
InChIInChI=1S/C10H18N2S2/c1-8-9(14-7-6-13-8)10(11)12-4-2-3-5-12/h8-9,11H,2-7H2,1H3/b11-10-
InChIKeyKYNHTOALBUYMPP-KHPPLWFESA-N
XLogP2.30
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.30
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)-piperidin-1-ylmethanimine
CID 115388967
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
cyclobutyl-(4-methylpiperazin-1-yl)methanimine
CID 64985856
cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine
CID 65286944
cyclopropyl(1,4-oxazepan-4-yl)methanimine
CID 63181568
cyclopentyl(1,4-oxazepan-4-yl)methanimine
CID 63181570
cyclopropyl-(2-methylpiperidin-1-yl)methanimine
CID 63178526
(4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine
CID 79663852
ethane;1-piperidin-1-ylethanimine
CID 142132316

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine (CID 115388965) is (3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine is [H]/N=C(/C1SCCSC1C)N1CCCC1.
What is the InChIKey of (3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine?
The InChIKey is KYNHTOALBUYMPP-KHPPLWFESA-N. The full InChI is InChI=1S/C10H18N2S2/c1-8-9(14-7-6-13-8)10(11)12-4-2-3-5-12/h8-9,11H,2-7H2,1H3/b11-10-.
What are the key properties of (3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine?
(3-methyl-1,4-dithian-2-yl)-pyrrolidin-1-ylmethanimine has a molecular weight of 230.40 g/mol, XLogP of 2.30, 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)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 115388965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).