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

C8H16N3PS — CID 89445785

IUPAC4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine
SMILESC#CC1CN(C)P(=S)(N(C)C)N1C
InChIInChI=1S/C8H16N3PS/c1-6-8-7-10(4)12(13,9(2)3)11(8)5/h1,8H,7H2,2-5H3
InChIKeyZJVDMKDZHFWHTM-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.65
Rot. Bonds1

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

4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine (PubChem CID 89445785) has the molecular formula C8H16N3PS and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine.

Molecular Properties

Compound Name4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine
PubChem CID89445785
Molecular FormulaC8H16N3PS
Molecular Weight217.28 g/mol
Exact Mass217.08
IUPAC Name4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine
SMILESC#CC1CN(C)P(=S)(N(C)C)N1C
InChIInChI=1S/C8H16N3PS/c1-6-8-7-10(4)12(13,9(2)3)11(8)5/h1,8H,7H2,2-5H3
InChIKeyZJVDMKDZHFWHTM-UHFFFAOYSA-N
XLogP0.65
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
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-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine with MolForge

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Related Compounds

4-ethynyl-1,3-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine
CID 88890131
5-ethynyl-1,2-dimethyl-2-sulfanylidene-1,2λ5-azaphospholidine
CID 89445736
4-ethynyl-2-methoxy-3-methyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidine
CID 89445848
4-ethynyl-1-methylazetidin-2-one
CID 59755737
3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 89442139
4-ethynyl-1,3-dimethylimidazolidin-2-one
CID 88889577
5-ethynyl-N,N-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholan-2-amine
CID 89445893
4-ethynyl-N,N,1-trimethyl-2-oxo-5H-1,2λ5-azaphosphol-2-amine
CID 89446295
4-ethynyl-N,N-dimethyl-2-sulfanylidene-1,2λ5-oxaphosphinan-2-amine
CID 89446008
6-ethynyl-1-methylpiperidine-3-carbonitrile
CID 123979955
6-ethynyl-1-methyl-2-methylsulfanyl-1,2λ5-azaphosphinane 2-oxide
CID 89445906
3,4-diethynyl-N,N-dimethyl-1-oxo-1λ5-phospholan-1-amine
CID 89446688

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine?
The IUPAC name of 4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine (CID 89445785) is 4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine.
What is the SMILES notation for 4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine?
The canonical SMILES for 4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine is C#CC1CN(C)P(=S)(N(C)C)N1C.
What is the InChIKey of 4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine?
The InChIKey is ZJVDMKDZHFWHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3PS/c1-6-8-7-10(4)12(13,9(2)3)11(8)5/h1,8H,7H2,2-5H3.
What are the key properties of 4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine?
4-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine has a molecular weight of 217.28 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-ethynyl-N,N,1,3-tetramethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-amine is sourced from PubChem (CID 89445785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).