1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile

C17H18N2O2S2 — CID 110711569

IUPAC1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)s1
InChIInChI=1S/C17H18N2O2S2/c1-14-7-8-16(22-14)23(20,21)19-11-9-17(13-18,10-12-19)15-5-3-2-4-6-15/h2-8H,9-12H2,1H3
InChIKeyYMURZCWZZLTURQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.30
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile

1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile (PubChem CID 110711569) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile
PubChem CID110711569
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)s1
InChIInChI=1S/C17H18N2O2S2/c1-14-7-8-16(22-14)23(20,21)19-11-9-17(13-18,10-12-19)15-5-3-2-4-6-15/h2-8H,9-12H2,1H3
InChIKeyYMURZCWZZLTURQ-UHFFFAOYSA-N
XLogP3.30
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile (CID 110711569) is 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile is Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile?
The InChIKey is YMURZCWZZLTURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-14-7-8-16(22-14)23(20,21)19-11-9-17(13-18,10-12-19)15-5-3-2-4-6-15/h2-8H,9-12H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile?
1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile has a molecular weight of 346.48 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 110711569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).