1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine

C10H18N4O2S — CID 131951524

IUPAC1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCS(=O)(=O)CCN1CCCC(c2ncn[nH]2)C1
InChIInChI=1S/C10H18N4O2S/c1-17(15,16)6-5-14-4-2-3-9(7-14)10-11-8-12-13-10/h8-9H,2-7H2,1H3,(H,11,12,13)
InChIKeyRLQZRLCFPSOQRD-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.03
Rot. Bonds4

About 1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine

1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 131951524) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID131951524
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCS(=O)(=O)CCN1CCCC(c2ncn[nH]2)C1
InChIInChI=1S/C10H18N4O2S/c1-17(15,16)6-5-14-4-2-3-9(7-14)10-11-8-12-13-10/h8-9H,2-7H2,1H3,(H,11,12,13)
InChIKeyRLQZRLCFPSOQRD-UHFFFAOYSA-N
XLogP0.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine (CID 131951524) is 1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine is CS(=O)(=O)CCN1CCCC(c2ncn[nH]2)C1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is RLQZRLCFPSOQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-17(15,16)6-5-14-4-2-3-9(7-14)10-11-8-12-13-10/h8-9H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine?
1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 258.35 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 131951524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).