4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide

C9H19N3O4S — CID 83101327

IUPAC4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide
SMILESCCC(CN)S(=O)(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C9H19N3O4S/c1-2-7(5-10)17(14,15)12-3-4-16-6-8(12)9(11)13/h7-8H,2-6,10H2,1H3,(H2,11,13)
InChIKeyPCGRVKLAPPCKJL-UHFFFAOYSA-N
MW265.33 g/mol
LogP-1.76
Rot. Bonds5

About 4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide

4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide (PubChem CID 83101327) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide
PubChem CID83101327
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Name4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide
SMILESCCC(CN)S(=O)(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C9H19N3O4S/c1-2-7(5-10)17(14,15)12-3-4-16-6-8(12)9(11)13/h7-8H,2-6,10H2,1H3,(H2,11,13)
InChIKeyPCGRVKLAPPCKJL-UHFFFAOYSA-N
XLogP-1.76
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide
CID 75397867
4-[3-(aminomethyl)pentanoyl]morpholine-3-carboxamide
CID 83102085
4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide
CID 136520750
4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide
CID 83096595
4-(4-oxopentan-2-yl)morpholine-3-carboxamide
CID 83096571
4-(3-amino-1-propylpyrazol-4-yl)sulfonylmorpholine-3-carboxamide
CID 83093925
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
4-(5-hydrazinyl-5-oxopentan-2-yl)morpholine-3-carboxamide
CID 83095939
4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]morpholine-3-carboxamide
CID 106594820
4-hexylmorpholine-3-carboxamide
CID 174697838
4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952
4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83092323

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide?
The IUPAC name of 4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide (CID 83101327) is 4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide is CCC(CN)S(=O)(=O)N1CCOCC1C(N)=O.
What is the InChIKey of 4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide?
The InChIKey is PCGRVKLAPPCKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-2-7(5-10)17(14,15)12-3-4-16-6-8(12)9(11)13/h7-8H,2-6,10H2,1H3,(H2,11,13).
What are the key properties of 4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide?
4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide has a molecular weight of 265.33 g/mol, XLogP of -1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide is sourced from PubChem (CID 83101327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).