1-ethylsulfinyl-4-prop-2-ynylpiperazine

C9H16N2OS — CID 130762662

IUPAC1-ethylsulfinyl-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(S(=O)CC)CC1
InChIInChI=1S/C9H16N2OS/c1-3-5-10-6-8-11(9-7-10)13(12)4-2/h1H,4-9H2,2H3
InChIKeyHQTGYBUGBIAKMC-UHFFFAOYSA-N
MW200.31 g/mol
LogP-0.08
Rot. Bonds3

About 1-ethylsulfinyl-4-prop-2-ynylpiperazine

1-ethylsulfinyl-4-prop-2-ynylpiperazine (PubChem CID 130762662) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-ethylsulfinyl-4-prop-2-ynylpiperazine.

Molecular Properties

Compound Name1-ethylsulfinyl-4-prop-2-ynylpiperazine
PubChem CID130762662
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-ethylsulfinyl-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(S(=O)CC)CC1
InChIInChI=1S/C9H16N2OS/c1-3-5-10-6-8-11(9-7-10)13(12)4-2/h1H,4-9H2,2H3
InChIKeyHQTGYBUGBIAKMC-UHFFFAOYSA-N
XLogP-0.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
2-amino-1-(4-prop-2-ynylpiperazin-1-yl)butan-1-one
CID 60962945
1-(4-prop-2-ynylpiperazin-1-yl)butan-1-ol
CID 173240641
2-(4-prop-2-ynylpiperazin-1-yl)propanoic acid
CID 62311285
4-ethyl-1-prop-2-ynylpiperidine
CID 60965394
1-(4-prop-2-ynyl-1,4-diazepan-1-yl)ethanone
CID 60699723
ethane;4-prop-2-ynylmorpholine
CID 144709407
ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate
CID 143179538
(2R)-2-amino-3,3-dimethyl-1-(4-prop-2-ynylpiperazin-1-yl)butan-1-one
CID 113353381
(Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine
CID 90942989
2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 130608896
oxalic acid;1-prop-2-ynylpiperidine
CID 71318911

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-4-prop-2-ynylpiperazine?
The IUPAC name of 1-ethylsulfinyl-4-prop-2-ynylpiperazine (CID 130762662) is 1-ethylsulfinyl-4-prop-2-ynylpiperazine.
What is the SMILES notation for 1-ethylsulfinyl-4-prop-2-ynylpiperazine?
The canonical SMILES for 1-ethylsulfinyl-4-prop-2-ynylpiperazine is C#CCN1CCN(S(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfinyl-4-prop-2-ynylpiperazine?
The InChIKey is HQTGYBUGBIAKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-5-10-6-8-11(9-7-10)13(12)4-2/h1H,4-9H2,2H3.
What are the key properties of 1-ethylsulfinyl-4-prop-2-ynylpiperazine?
1-ethylsulfinyl-4-prop-2-ynylpiperazine has a molecular weight of 200.31 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-4-prop-2-ynylpiperazine is sourced from PubChem (CID 130762662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).