N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide

C13H22N4O3S — CID 71871657

IUPACN-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1cc(C2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n[nH]1
InChIInChI=1S/C13H22N4O3S/c1-10-7-12(15-14-10)11-5-4-6-17(8-11)13(18)9-16(2)21(3,19)20/h7,11H,4-6,8-9H2,1-3H3,(H,14,15)
InChIKeyOLITVUIDZFWDHN-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.32
Rot. Bonds4

About N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide

N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 71871657) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID71871657
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1cc(C2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n[nH]1
InChIInChI=1S/C13H22N4O3S/c1-10-7-12(15-14-10)11-5-4-6-17(8-11)13(18)9-16(2)21(3,19)20/h7,11H,4-6,8-9H2,1-3H3,(H,14,15)
InChIKeyOLITVUIDZFWDHN-UHFFFAOYSA-N
XLogP0.32
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 71871657) is N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide is Cc1cc(C2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n[nH]1.
What is the InChIKey of N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is OLITVUIDZFWDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-10-7-12(15-14-10)11-5-4-6-17(8-11)13(18)9-16(2)21(3,19)20/h7,11H,4-6,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 71871657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).