4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide

C12H23N3O5S — CID 83097232

IUPAC4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C12H23N3O5S/c1-3-14-11(16)10-8-20-6-5-15(10)12(17)9(13)4-7-21(2,18)19/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyPAWQVBSCTJEDPO-UHFFFAOYSA-N
MW321.40 g/mol
LogP-1.89
Rot. Bonds6

About 4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide

4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83097232) has the molecular formula C12H23N3O5S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83097232
Molecular FormulaC12H23N3O5S
Molecular Weight321.40 g/mol
Exact Mass321.14
IUPAC Name4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C12H23N3O5S/c1-3-14-11(16)10-8-20-6-5-15(10)12(17)9(13)4-7-21(2,18)19/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyPAWQVBSCTJEDPO-UHFFFAOYSA-N
XLogP-1.89
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
CID 106774307
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
4-(2-carbamothioylbutanoyl)-N-ethylmorpholine-3-carboxamide
CID 83097501
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107570452
4-(2-amino-2-phenylacetyl)-N-ethylmorpholine-3-carboxamide
CID 83098419
4-[(2R)-2-aminopentanoyl]morpholine-3-carboxylic acid
CID 103871081
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide
CID 83098645
4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
CID 83099136
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide (CID 83097232) is 4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is PAWQVBSCTJEDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5S/c1-3-14-11(16)10-8-20-6-5-15(10)12(17)9(13)4-7-21(2,18)19/h9-10H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide?
4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of -1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83097232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).