N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide

C10H17NO4S — CID 90523800

IUPACN-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(O)c1ccco1
InChIInChI=1S/C10H17NO4S/c1-2-8-16(13,14)11-6-5-9(12)10-4-3-7-15-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3
InChIKeyBVMCJOZYLBVLPO-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.03
Rot. Bonds7

About N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide

N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide (PubChem CID 90523800) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
PubChem CID90523800
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC NameN-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(O)c1ccco1
InChIInChI=1S/C10H17NO4S/c1-2-8-16(13,14)11-6-5-9(12)10-4-3-7-15-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3
InChIKeyBVMCJOZYLBVLPO-UHFFFAOYSA-N
XLogP1.03
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523810
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
CID 90523818
1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523851
2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide
CID 71787723
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
1-(furan-2-yl)decan-1-ol
CID 11085452
N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 90523835
5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide
CID 90523863
N-[2,2-bis(furan-2-yl)ethyl]butane-1-sulfonamide
CID 131702580
dimethanidyl(dimethyl)silane;1-(furan-2-yl)pentan-1-ol;titanium(2+)
CID 20687674
N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523886

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide (CID 90523800) is N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCC(O)c1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide?
The InChIKey is BVMCJOZYLBVLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-2-8-16(13,14)11-6-5-9(12)10-4-3-7-15-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3.
What are the key properties of N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide?
N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide is sourced from PubChem (CID 90523800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).