4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine

C10H16N3PS — CID 89446690

IUPAC4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine
SMILESC#CC1C(C#C)N(C)P(=S)(N(C)C)N1C
InChIInChI=1S/C10H16N3PS/c1-7-9-10(8-2)13(6)14(15,11(3)4)12(9)5/h1-2,9-10H,3-6H3
InChIKeyPHWWWYWODJIAFR-UHFFFAOYSA-N
MW241.30 g/mol
LogP0.65
Rot. Bonds1

About 4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine

4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine (PubChem CID 89446690) has the molecular formula C10H16N3PS and a molecular weight of 241.30 g/mol. Its IUPAC name is 4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine.

Molecular Properties

Compound Name4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine
PubChem CID89446690
Molecular FormulaC10H16N3PS
Molecular Weight241.30 g/mol
Exact Mass241.08
IUPAC Name4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine
SMILESC#CC1C(C#C)N(C)P(=S)(N(C)C)N1C
InChIInChI=1S/C10H16N3PS/c1-7-9-10(8-2)13(6)14(15,11(3)4)12(9)5/h1-2,9-10H,3-6H3
InChIKeyPHWWWYWODJIAFR-UHFFFAOYSA-N
XLogP0.65
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine with MolForge

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Related Compounds

4-Ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2lambda5-diazaphospholidine
CID 88889603
3,4-Diethynyl-2,5-dimethyl-1,1-bis(sulfanylidene)-1,2,5-thiadiazolidine
CID 88890099
4-Ethynyl-1,3-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2lambda5-diazaphospholidine
CID 88890131
4-ethynyl-N,1,3-trimethyl-2-sulfanylidene-1,3,2lambda5-diazaphospholidin-2-amine
CID 89441885
3,4-Diethynyl-2,5-dimethyl-1,2,5-thiadiazolidine
CID 89441928
4,5-Diethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2lambda5-diazaphospholidine
CID 89441970
4-Ethynyl-2-hydroxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphospholidine
CID 89442148
4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2lambda5-diazaphospholidin-2-amine
CID 89445734
4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2lambda5-diazaphospholidin-2-amine
CID 89445785
5-ethynyl-N,N,1-trimethyl-2-sulfanylidene-1,2lambda5-azaphospholidin-2-amine
CID 89445842
3,4-Diethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1-oxide
CID 89446630
3,4-Diethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine
CID 89446632

Frequently Asked Questions

What is the IUPAC name of 4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine?
The IUPAC name of 4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine (CID 89446690) is 4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine.
What is the SMILES notation for 4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine?
The canonical SMILES for 4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine is C#CC1C(C#C)N(C)P(=S)(N(C)C)N1C.
What is the InChIKey of 4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine?
The InChIKey is PHWWWYWODJIAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3PS/c1-7-9-10(8-2)13(6)14(15,11(3)4)12(9)5/h1-2,9-10H,3-6H3.
What are the key properties of 4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine?
4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine has a molecular weight of 241.30 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine is sourced from PubChem (CID 89446690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).