1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine

C11H20N2O2S — CID 71150925

IUPAC1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine
SMILESCC#CC(C)(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H20N2O2S/c1-5-6-11(2,3)12-7-9-13(10-8-12)16(4,14)15/h7-10H2,1-4H3
InChIKeyYWBLAHUDZBNNQN-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.37
Rot. Bonds2

About 1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine

1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine (PubChem CID 71150925) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine
PubChem CID71150925
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine
SMILESCC#CC(C)(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H20N2O2S/c1-5-6-11(2,3)12-7-9-13(10-8-12)16(4,14)15/h7-10H2,1-4H3
InChIKeyYWBLAHUDZBNNQN-UHFFFAOYSA-N
XLogP0.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 55133510
1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine
CID 58209113
2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 63004531
1-iodo-4-methylsulfonylpiperazine
CID 129191929
1-[2,3-dimethyl-3-(oxan-4-yl)butan-2-yl]-4-methylsulfonylpiperazine
CID 155036372
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 63004401
1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine
CID 134590740
2-bromo-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 82308981
4-tert-butylpiperazine-1-sulfonyl chloride
CID 114958282
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 80548168
1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylsulfonylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane
CID 158737237
ethynyl 4-methylsulfonylpiperazine-1-sulfonate
CID 170994653

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine (CID 71150925) is 1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine is CC#CC(C)(C)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine?
The InChIKey is YWBLAHUDZBNNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-5-6-11(2,3)12-7-9-13(10-8-12)16(4,14)15/h7-10H2,1-4H3.
What are the key properties of 1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine?
1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine has a molecular weight of 244.36 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpent-3-yn-2-yl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 71150925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).