4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide

C11H25N3O3S — CID 54965332

IUPAC4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)CCCCN
InChIInChI=1S/C11H25N3O3S/c1-11(10-14-5-7-17-8-6-14)13-18(15,16)9-3-2-4-12/h11,13H,2-10,12H2,1H3
InChIKeyHJBFZNQABQGFEV-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.63
Rot. Bonds8

About 4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide

4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide (PubChem CID 54965332) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide
PubChem CID54965332
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)CCCCN
InChIInChI=1S/C11H25N3O3S/c1-11(10-14-5-7-17-8-6-14)13-18(15,16)9-3-2-4-12/h11,13H,2-10,12H2,1H3
InChIKeyHJBFZNQABQGFEV-UHFFFAOYSA-N
XLogP-0.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide (CID 54965332) is 4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide is CC(CN1CCOCC1)NS(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide?
The InChIKey is HJBFZNQABQGFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-11(10-14-5-7-17-8-6-14)13-18(15,16)9-3-2-4-12/h11,13H,2-10,12H2,1H3.
What are the key properties of 4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide?
4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 54965332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).