6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile

C15H18N6O4S — CID 23133627

IUPAC6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC1(CS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H18N6O4S/c1-15(13(22)18-14(23)19-15)10-26(24,25)21-6-4-20(5-7-21)12-3-2-11(8-16)9-17-12/h2-3,9H,4-7,10H2,1H3,(H2,18,19,22,23)
InChIKeyRFIXIWTVLRFVNF-UHFFFAOYSA-N
MW378.41 g/mol
LogP-1.00
Rot. Bonds4

About 6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 23133627) has the molecular formula C15H18N6O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID23133627
Molecular FormulaC15H18N6O4S
Molecular Weight378.41 g/mol
Exact Mass378.11
IUPAC Name6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC1(CS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H18N6O4S/c1-15(13(22)18-14(23)19-15)10-26(24,25)21-6-4-20(5-7-21)12-3-2-11(8-16)9-17-12/h2-3,9H,4-7,10H2,1H3,(H2,18,19,22,23)
InChIKeyRFIXIWTVLRFVNF-UHFFFAOYSA-N
XLogP-1.00
TPSA135.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 23133627) is 6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile is CC1(CS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)NC(=O)NC1=O.
What is the InChIKey of 6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RFIXIWTVLRFVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O4S/c1-15(13(22)18-14(23)19-15)10-26(24,25)21-6-4-20(5-7-21)12-3-2-11(8-16)9-17-12/h2-3,9H,4-7,10H2,1H3,(H2,18,19,22,23).
What are the key properties of 6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 378.41 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 23133627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).