N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide

C13H19N5O2S — CID 165435142

IUPACN-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
SMILESCn1ccc2c(N3CCC(NS(C)(=O)=O)CC3)ncnc21
InChIInChI=1S/C13H19N5O2S/c1-17-6-5-11-12(17)14-9-15-13(11)18-7-3-10(4-8-18)16-21(2,19)20/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyCFCITOIMTHTDRM-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.49
Rot. Bonds3

About N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide

N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 165435142) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
PubChem CID165435142
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
SMILESCn1ccc2c(N3CCC(NS(C)(=O)=O)CC3)ncnc21
InChIInChI=1S/C13H19N5O2S/c1-17-6-5-11-12(17)14-9-15-13(11)18-7-3-10(4-8-18)16-21(2,19)20/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyCFCITOIMTHTDRM-UHFFFAOYSA-N
XLogP0.49
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide (CID 165435142) is N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide is Cn1ccc2c(N3CCC(NS(C)(=O)=O)CC3)ncnc21.
What is the InChIKey of N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is CFCITOIMTHTDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-17-6-5-11-12(17)14-9-15-13(11)18-7-3-10(4-8-18)16-21(2,19)20/h5-6,9-10,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 165435142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).