1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide

C10H20N4S2 — CID 14069300

IUPAC1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide
SMILESCCNC(=S)N1CCCN(C(=S)NCC)C1
InChIInChI=1S/C10H20N4S2/c1-3-11-9(15)13-6-5-7-14(8-13)10(16)12-4-2/h3-8H2,1-2H3,(H,11,15)(H,12,16)
InChIKeySUCHIJKFBNJAHS-UHFFFAOYSA-N
MW260.43 g/mol
LogP0.74
Rot. Bonds2

About 1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide

1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide (PubChem CID 14069300) has the molecular formula C10H20N4S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide.

Molecular Properties

Compound Name1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide
PubChem CID14069300
Molecular FormulaC10H20N4S2
Molecular Weight260.43 g/mol
Exact Mass260.11
IUPAC Name1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide
SMILESCCNC(=S)N1CCCN(C(=S)NCC)C1
InChIInChI=1S/C10H20N4S2/c1-3-11-9(15)13-6-5-7-14(8-13)10(16)12-4-2/h3-8H2,1-2H3,(H,11,15)(H,12,16)
InChIKeySUCHIJKFBNJAHS-UHFFFAOYSA-N
XLogP0.74
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide?
The IUPAC name of 1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide (CID 14069300) is 1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide.
What is the SMILES notation for 1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide?
The canonical SMILES for 1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide is CCNC(=S)N1CCCN(C(=S)NCC)C1.
What is the InChIKey of 1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide?
The InChIKey is SUCHIJKFBNJAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S2/c1-3-11-9(15)13-6-5-7-14(8-13)10(16)12-4-2/h3-8H2,1-2H3,(H,11,15)(H,12,16).
What are the key properties of 1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide?
1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide has a molecular weight of 260.43 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-1,3-diazinane-1,3-dicarbothioamide is sourced from PubChem (CID 14069300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).