1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione

C10H18N4S2 — CID 88660718

IUPAC1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione
SMILESCC1NC(=S)NC(=S)N1NC1CCCCC1
InChIInChI=1S/C10H18N4S2/c1-7-11-9(15)12-10(16)14(7)13-8-5-3-2-4-6-8/h7-8,13H,2-6H2,1H3,(H2,11,12,15,16)
InChIKeyPEYOWCQIBAUSAP-UHFFFAOYSA-N
MW258.42 g/mol
LogP1.23
Rot. Bonds2

About 1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione

1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione (PubChem CID 88660718) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione.

Molecular Properties

Compound Name1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione
PubChem CID88660718
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC Name1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione
SMILESCC1NC(=S)NC(=S)N1NC1CCCCC1
InChIInChI=1S/C10H18N4S2/c1-7-11-9(15)12-10(16)14(7)13-8-5-3-2-4-6-8/h7-8,13H,2-6H2,1H3,(H2,11,12,15,16)
InChIKeyPEYOWCQIBAUSAP-UHFFFAOYSA-N
XLogP1.23
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione?
The IUPAC name of 1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione (CID 88660718) is 1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione.
What is the SMILES notation for 1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione?
The canonical SMILES for 1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione is CC1NC(=S)NC(=S)N1NC1CCCCC1.
What is the InChIKey of 1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione?
The InChIKey is PEYOWCQIBAUSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/c1-7-11-9(15)12-10(16)14(7)13-8-5-3-2-4-6-8/h7-8,13H,2-6H2,1H3,(H2,11,12,15,16).
What are the key properties of 1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione?
1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione has a molecular weight of 258.42 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione is sourced from PubChem (CID 88660718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).