5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide

C13H22N2O4S — CID 107323800

IUPAC5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(CNC2CC2)o1
InChIInChI=1S/C13H22N2O4S/c16-9-3-1-2-8-15-20(17,18)13-7-6-12(19-13)10-14-11-4-5-11/h6-7,11,14-16H,1-5,8-10H2
InChIKeyDXYJWWKOGNIBSV-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.97
Rot. Bonds10

About 5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide (PubChem CID 107323800) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide
PubChem CID107323800
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(CNC2CC2)o1
InChIInChI=1S/C13H22N2O4S/c16-9-3-1-2-8-15-20(17,18)13-7-6-12(19-13)10-14-11-4-5-11/h6-7,11,14-16H,1-5,8-10H2
InChIKeyDXYJWWKOGNIBSV-UHFFFAOYSA-N
XLogP0.97
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclobutyl)methyl]furan-2-sulfonamide
CID 66007251
5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide
CID 106137735
N-(1-cyclopentylethyl)-5-[(cyclopropylamino)methyl]furan-2-sulfonamide
CID 106066048
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)furan-2-sulfonamide
CID 106071264
N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106137737
5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide
CID 102807670
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106062802
5-(cyclopropylsulfamoylamino)pentan-1-ol
CID 107319496
5-formyl-N-[3-(2-hydroxyethoxy)propyl]furan-2-sulfonamide
CID 114172010

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide (CID 107323800) is 5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide is O=S(=O)(NCCCCCO)c1ccc(CNC2CC2)o1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide?
The InChIKey is DXYJWWKOGNIBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c16-9-3-1-2-8-15-20(17,18)13-7-6-12(19-13)10-14-11-4-5-11/h6-7,11,14-16H,1-5,8-10H2.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.97, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide is sourced from PubChem (CID 107323800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).