4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid

C12H25N3O4S — CID 66624958

IUPAC4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid
SMILESCC(C)N1CCC(NS(=O)(=O)C(CN)CC(=O)O)CC1
InChIInChI=1S/C12H25N3O4S/c1-9(2)15-5-3-10(4-6-15)14-20(18,19)11(8-13)7-12(16)17/h9-11,14H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyZJKYIAYZZOXPMM-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.42
Rot. Bonds7

About 4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid

4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid (PubChem CID 66624958) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid
PubChem CID66624958
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Name4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid
SMILESCC(C)N1CCC(NS(=O)(=O)C(CN)CC(=O)O)CC1
InChIInChI=1S/C12H25N3O4S/c1-9(2)15-5-3-10(4-6-15)14-20(18,19)11(8-13)7-12(16)17/h9-11,14H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyZJKYIAYZZOXPMM-UHFFFAOYSA-N
XLogP-0.42
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid (CID 66624958) is 4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid is CC(C)N1CCC(NS(=O)(=O)C(CN)CC(=O)O)CC1.
What is the InChIKey of 4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid?
The InChIKey is ZJKYIAYZZOXPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-9(2)15-5-3-10(4-6-15)14-20(18,19)11(8-13)7-12(16)17/h9-11,14H,3-8,13H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid?
4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid has a molecular weight of 307.42 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 66624958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).