cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine

C10H18N2S2 — CID 130616752

IUPACcyclopentyl(1,2,5-dithiazepan-5-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCSSCC1
InChIInChI=1S/C10H18N2S2/c11-10(9-3-1-2-4-9)12-5-7-13-14-8-6-12/h9,11H,1-8H2/b11-10+
InChIKeyDWZWFMSLVAFFAF-ZHACJKMWSA-N
MW230.40 g/mol
LogP2.85
Rot. Bonds1

About cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine

cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine (PubChem CID 130616752) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine.

Molecular Properties

Compound Namecyclopentyl(1,2,5-dithiazepan-5-yl)methanimine
PubChem CID130616752
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Namecyclopentyl(1,2,5-dithiazepan-5-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCSSCC1
InChIInChI=1S/C10H18N2S2/c11-10(9-3-1-2-4-9)12-5-7-13-14-8-6-12/h9,11H,1-8H2/b11-10+
InChIKeyDWZWFMSLVAFFAF-ZHACJKMWSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine?
The IUPAC name of cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine (CID 130616752) is cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine.
What is the SMILES notation for cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine?
The canonical SMILES for cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine is [H]/N=C(\C1CCCC1)N1CCSSCC1.
What is the InChIKey of cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine?
The InChIKey is DWZWFMSLVAFFAF-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2S2/c11-10(9-3-1-2-4-9)12-5-7-13-14-8-6-12/h9,11H,1-8H2/b11-10+.
What are the key properties of cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine?
cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine has a molecular weight of 230.40 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine is sourced from PubChem (CID 130616752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).