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

C14H22N4O4S — CID 125002656

IUPACN-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1nccnc1CC[C@H]1COCCN1C(=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/t12-/m0/s1
InChIKeySMAPLSGNLGKROW-LBPRGKRZSA-N
MW342.42 g/mol
LogP-0.51
Rot. Bonds6

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

N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 125002656) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide
PubChem CID125002656
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1nccnc1CC[C@H]1COCCN1C(=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/t12-/m0/s1
InChIKeySMAPLSGNLGKROW-LBPRGKRZSA-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

Analyze N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide with MolForge

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Related Compounds

2-cyclopentyl-1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124945965
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 125026964
2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124941983
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
CID 110133432
1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124985758
2-(4-fluorophenoxy)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124981179
1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124995035
1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
CID 125013815
[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone
CID 124976639
4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one
CID 124942838
[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 124970486
(1-ethyl-3-methylpyrazol-4-yl)-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 124957997

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide (CID 125002656) is N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide is Cc1nccnc1CC[C@H]1COCCN1C(=O)CNS(C)(=O)=O.
What is the InChIKey of N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is SMAPLSGNLGKROW-LBPRGKRZSA-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/t12-/m0/s1.
What are the key properties of N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[(3S)-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-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 125002656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).