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

C13H20N4O2S — CID 146079677

IUPACN-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide
SMILESCc1nccc(N2CCC(NS(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C13H20N4O2S/c1-10-14-7-4-13(15-10)17-8-5-11(6-9-17)16-20(18,19)12-2-3-12/h4,7,11-12,16H,2-3,5-6,8-9H2,1H3
InChIKeySVYCHPPLUMYMEQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.84
Rot. Bonds4

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

N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 146079677) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide
PubChem CID146079677
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide
SMILESCc1nccc(N2CCC(NS(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C13H20N4O2S/c1-10-14-7-4-13(15-10)17-8-5-11(6-9-17)16-20(18,19)12-2-3-12/h4,7,11-12,16H,2-3,5-6,8-9H2,1H3
InChIKeySVYCHPPLUMYMEQ-UHFFFAOYSA-N
XLogP0.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide (CID 146079677) is N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide is Cc1nccc(N2CCC(NS(=O)(=O)C3CC3)CC2)n1.
What is the InChIKey of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is SVYCHPPLUMYMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-10-14-7-4-13(15-10)17-8-5-11(6-9-17)16-20(18,19)12-2-3-12/h4,7,11-12,16H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide?
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 296.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 146079677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).