N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C11H18N4O4S — CID 162634930

IUPACN-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCn1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)n1
InChIInChI=1S/C11H18N4O4S/c1-13-4-3-10(12-13)15(20(2,17)18)9-11(16)14-5-7-19-8-6-14/h3-4H,5-9H2,1-2H3
InChIKeyOWUJIWDQBZYZIR-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.96
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 162634930) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID162634930
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC NameN-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCn1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)n1
InChIInChI=1S/C11H18N4O4S/c1-13-4-3-10(12-13)15(20(2,17)18)9-11(16)14-5-7-19-8-6-14/h3-4H,5-9H2,1-2H3
InChIKeyOWUJIWDQBZYZIR-UHFFFAOYSA-N
XLogP-0.96
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113156941
N-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 765932
N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-pyrazol-1-ylphenyl)methanesulfonamide
CID 162634500
N-(2-morpholin-4-yl-2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50944502
N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113155009
N-(2-methoxy-4-pyridinyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 165427573
N-(2,6-dimethoxy-3-pyridinyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 163313438
N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-propan-2-yloxyphenyl)methanesulfonamide
CID 113155333
N-(5-chloro-2-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 1100137
N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 30256622
N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 30256714
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156552

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 162634930) is N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is Cn1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is OWUJIWDQBZYZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-13-4-3-10(12-13)15(20(2,17)18)9-11(16)14-5-7-19-8-6-14/h3-4H,5-9H2,1-2H3.
What are the key properties of N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of -0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 162634930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).