4-ethynyl-1-piperidin-1-ylsulfonylpiperidine

C12H20N2O2S — CID 165436307

IUPAC4-ethynyl-1-piperidin-1-ylsulfonylpiperidine
SMILESC#CC1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H20N2O2S/c1-2-12-6-10-14(11-7-12)17(15,16)13-8-4-3-5-9-13/h1,12H,3-11H2
InChIKeyBEMGLYYTCDJALY-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.06
Rot. Bonds2

About 4-ethynyl-1-piperidin-1-ylsulfonylpiperidine

4-ethynyl-1-piperidin-1-ylsulfonylpiperidine (PubChem CID 165436307) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-ethynyl-1-piperidin-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-ethynyl-1-piperidin-1-ylsulfonylpiperidine
PubChem CID165436307
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-ethynyl-1-piperidin-1-ylsulfonylpiperidine
SMILESC#CC1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H20N2O2S/c1-2-12-6-10-14(11-7-12)17(15,16)13-8-4-3-5-9-13/h1,12H,3-11H2
InChIKeyBEMGLYYTCDJALY-UHFFFAOYSA-N
XLogP1.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.06
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-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
N-methyl-1-piperidin-1-ylsulfonylpiperidin-4-amine
CID 60819803
(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine
CID 43605338
(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-ol
CID 66291550
4-isocyanato-1-pyrrolidin-1-ylsulfonylpiperidine
CID 28785354
1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3564554
1-(azetidin-1-ylsulfonyl)azetidine
CID 69400792
1-(azepan-1-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120779565
2-[1-(azepan-1-ylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 114802300
1-[4-(1-chloroethyl)piperidin-1-yl]sulfonylazepane
CID 106839570

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-piperidin-1-ylsulfonylpiperidine?
The IUPAC name of 4-ethynyl-1-piperidin-1-ylsulfonylpiperidine (CID 165436307) is 4-ethynyl-1-piperidin-1-ylsulfonylpiperidine.
What is the SMILES notation for 4-ethynyl-1-piperidin-1-ylsulfonylpiperidine?
The canonical SMILES for 4-ethynyl-1-piperidin-1-ylsulfonylpiperidine is C#CC1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 4-ethynyl-1-piperidin-1-ylsulfonylpiperidine?
The InChIKey is BEMGLYYTCDJALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-12-6-10-14(11-7-12)17(15,16)13-8-4-3-5-9-13/h1,12H,3-11H2.
What are the key properties of 4-ethynyl-1-piperidin-1-ylsulfonylpiperidine?
4-ethynyl-1-piperidin-1-ylsulfonylpiperidine has a molecular weight of 256.37 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-piperidin-1-ylsulfonylpiperidine is sourced from PubChem (CID 165436307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).