1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine

C9H16N2S2 — CID 164660868

IUPAC1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CC1SCCS1
InChIInChI=1S/C9H16N2S2/c10-8-3-1-2-4-11(8)7-9-12-5-6-13-9/h9-10H,1-7H2/b10-8+
InChIKeyONFWGZLASDQSNL-CSKARUKUSA-N
MW216.37 g/mol
LogP2.26
Rot. Bonds2

About 1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine

1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine (PubChem CID 164660868) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine
PubChem CID164660868
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC Name1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CC1SCCS1
InChIInChI=1S/C9H16N2S2/c10-8-3-1-2-4-11(8)7-9-12-5-6-13-9/h9-10H,1-7H2/b10-8+
InChIKeyONFWGZLASDQSNL-CSKARUKUSA-N
XLogP2.26
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.26
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

1-(cycloheptylmethyl)pyrrolidin-2-imine
CID 131007201
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-imine
CID 66409968
1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine
CID 60856218
1-(oxolan-2-ylmethyl)pyrrolidin-2-imine
CID 43121893
1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine
CID 62640522
1-[(4-ethylmorpholin-2-yl)methyl]piperidin-2-imine
CID 114400417
1-[(3-methylcyclopentyl)methyl]pyrrolidin-2-imine
CID 107413702
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepan-2-imine
CID 67572582
1-(2-cyclohexylethyl)pyrrolidin-2-imine
CID 60920084
1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine
CID 106007900
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine
CID 66409750
1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine
CID 43121926

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine?
The IUPAC name of 1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine (CID 164660868) is 1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine.
What is the SMILES notation for 1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine?
The canonical SMILES for 1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine is [H]/N=C1\CCCCN1CC1SCCS1.
What is the InChIKey of 1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine?
The InChIKey is ONFWGZLASDQSNL-CSKARUKUSA-N. The full InChI is InChI=1S/C9H16N2S2/c10-8-3-1-2-4-11(8)7-9-12-5-6-13-9/h9-10H,1-7H2/b10-8+.
What are the key properties of 1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine?
1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine has a molecular weight of 216.37 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithiolan-2-ylmethyl)piperidin-2-imine is sourced from PubChem (CID 164660868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).