N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

C12H20N4O3S — CID 43073355

IUPACN-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCn1cc(C(=O)N2CCCCC2CNS(C)(=O)=O)cn1
InChIInChI=1S/C12H20N4O3S/c1-15-9-10(7-13-15)12(17)16-6-4-3-5-11(16)8-14-20(2,18)19/h7,9,11,14H,3-6,8H2,1-2H3
InChIKeyMQJMBHGYKXOGAS-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.04
Rot. Bonds4

About N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 43073355) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID43073355
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCn1cc(C(=O)N2CCCCC2CNS(C)(=O)=O)cn1
InChIInChI=1S/C12H20N4O3S/c1-15-9-10(7-13-15)12(17)16-6-4-3-5-11(16)8-14-20(2,18)19/h7,9,11,14H,3-6,8H2,1-2H3
InChIKeyMQJMBHGYKXOGAS-UHFFFAOYSA-N
XLogP-0.04
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (CID 43073355) is N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is Cn1cc(C(=O)N2CCCCC2CNS(C)(=O)=O)cn1.
What is the InChIKey of N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is MQJMBHGYKXOGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-15-9-10(7-13-15)12(17)16-6-4-3-5-11(16)8-14-20(2,18)19/h7,9,11,14H,3-6,8H2,1-2H3.
What are the key properties of N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 43073355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).