3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne

C10H18N2S2 — CID 142664047

IUPAC3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne
SMILESCC1(C)CNC#CNCC(C)(C)SS1
InChIInChI=1S/C10H18N2S2/c1-9(2)7-11-5-6-12-8-10(3,4)14-13-9/h11-12H,7-8H2,1-4H3
InChIKeyUVRPTKZPWAUBTK-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.04
Rot. Bonds

About 3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne

3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne (PubChem CID 142664047) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne.

Molecular Properties

Compound Name3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne
PubChem CID142664047
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne
SMILESCC1(C)CNC#CNCC(C)(C)SS1
InChIInChI=1S/C10H18N2S2/c1-9(2)7-11-5-6-12-8-10(3,4)14-13-9/h11-12H,7-8H2,1-4H3
InChIKeyUVRPTKZPWAUBTK-UHFFFAOYSA-N
XLogP2.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne?
The IUPAC name of 3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne (CID 142664047) is 3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne.
What is the SMILES notation for 3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne?
The canonical SMILES for 3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne is CC1(C)CNC#CNCC(C)(C)SS1.
What is the InChIKey of 3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne?
The InChIKey is UVRPTKZPWAUBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-9(2)7-11-5-6-12-8-10(3,4)14-13-9/h11-12H,7-8H2,1-4H3.
What are the key properties of 3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne?
3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne has a molecular weight of 230.40 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne is sourced from PubChem (CID 142664047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).