N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide

C14H22N4O4S — CID 110132329

IUPACN-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1nccnc1CCC1COCCN1C(=O)CNS(C)(=O)=O
InChIInChI=1S/C14H22N4O4S/c1-11-13(16-6-5-15-11)4-3-12-10-22-8-7-18(12)14(19)9-17-23(2,20)21/h5-6,12,17H,3-4,7-10H2,1-2H3
InChIKeySMAPLSGNLGKROW-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.51
Rot. Bonds6

About N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide

N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 110132329) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide
PubChem CID110132329
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1nccnc1CCC1COCCN1C(=O)CNS(C)(=O)=O
InChIInChI=1S/C14H22N4O4S/c1-11-13(16-6-5-15-11)4-3-12-10-22-8-7-18(12)14(19)9-17-23(2,20)21/h5-6,12,17H,3-4,7-10H2,1-2H3
InChIKeySMAPLSGNLGKROW-UHFFFAOYSA-N
XLogP-0.51
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide (CID 110132329) is N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide is Cc1nccnc1CCC1COCCN1C(=O)CNS(C)(=O)=O.
What is the InChIKey of N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is SMAPLSGNLGKROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-11-13(16-6-5-15-11)4-3-12-10-22-8-7-18(12)14(19)9-17-23(2,20)21/h5-6,12,17H,3-4,7-10H2,1-2H3.
What are the key properties of N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of -0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 110132329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).