3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide

C11H20N2O3S — CID 54967741

IUPAC3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide
SMILESCC(CCc1ccco1)NS(=O)(=O)CCCN
InChIInChI=1S/C11H20N2O3S/c1-10(5-6-11-4-2-8-16-11)13-17(14,15)9-3-7-12/h2,4,8,10,13H,3,5-7,9,12H2,1H3
InChIKeyOXDSUDDJGYVHBA-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.87
Rot. Bonds8

About 3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide

3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide (PubChem CID 54967741) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide
PubChem CID54967741
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide
SMILESCC(CCc1ccco1)NS(=O)(=O)CCCN
InChIInChI=1S/C11H20N2O3S/c1-10(5-6-11-4-2-8-16-11)13-17(14,15)9-3-7-12/h2,4,8,10,13H,3,5-7,9,12H2,1H3
InChIKeyOXDSUDDJGYVHBA-UHFFFAOYSA-N
XLogP0.87
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
N-[4-(furan-2-yl)butan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61248919
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 65482008
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817
N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
CID 103902199
N-[4-(furan-2-yl)butan-2-yl]-3-hydrazinylpyridine-2-sulfonamide
CID 103301188
3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 39949050
N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972457
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 60652421
N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7354301
2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide
CID 61251576

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide (CID 54967741) is 3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide is CC(CCc1ccco1)NS(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide?
The InChIKey is OXDSUDDJGYVHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-10(5-6-11-4-2-8-16-11)13-17(14,15)9-3-7-12/h2,4,8,10,13H,3,5-7,9,12H2,1H3.
What are the key properties of 3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide?
3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 54967741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).