N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide

C11H18N4O2S — CID 118640013

IUPACN-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1cnc(N2CCC(NS(C)(=O)=O)CC2)nc1
InChIInChI=1S/C11H18N4O2S/c1-9-7-12-11(13-8-9)15-5-3-10(4-6-15)14-18(2,16)17/h7-8,10,14H,3-6H2,1-2H3
InChIKeyZQQRXICEJGNBQY-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.30
Rot. Bonds3

About N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide

N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 118640013) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
PubChem CID118640013
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1cnc(N2CCC(NS(C)(=O)=O)CC2)nc1
InChIInChI=1S/C11H18N4O2S/c1-9-7-12-11(13-8-9)15-5-3-10(4-6-15)14-18(2,16)17/h7-8,10,14H,3-6H2,1-2H3
InChIKeyZQQRXICEJGNBQY-UHFFFAOYSA-N
XLogP0.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide (CID 118640013) is N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide is Cc1cnc(N2CCC(NS(C)(=O)=O)CC2)nc1.
What is the InChIKey of N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is ZQQRXICEJGNBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-7-12-11(13-8-9)15-5-3-10(4-6-15)14-18(2,16)17/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 270.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 118640013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).