5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide

C14H22N2O4S — CID 103340526

IUPAC5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1ccc(CNC2CC2)o1
InChIInChI=1S/C14H22N2O4S/c1-3-8-16(9-10-19-2)21(17,18)14-7-6-13(20-14)11-15-12-4-5-12/h3,6-7,12,15H,1,4-5,8-11H2,2H3
InChIKeyAFRSCRCCKVTZAS-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.35
Rot. Bonds10

About 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide (PubChem CID 103340526) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide
PubChem CID103340526
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1ccc(CNC2CC2)o1
InChIInChI=1S/C14H22N2O4S/c1-3-8-16(9-10-19-2)21(17,18)14-7-6-13(20-14)11-15-12-4-5-12/h3,6-7,12,15H,1,4-5,8-11H2,2H3
InChIKeyAFRSCRCCKVTZAS-UHFFFAOYSA-N
XLogP1.35
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557635
N-[[2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 103340346
3-chloro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 107090912
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 103340653
4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide
CID 102704690
3-N-(2-methoxyethyl)-3-N-prop-2-enylbenzene-1,3-disulfonamide
CID 103339915
N-(1-cyclopentylethyl)-5-[(cyclopropylamino)methyl]furan-2-sulfonamide
CID 106066048
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide
CID 103340666
2,4-difluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340564
5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340767
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 115505831

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide (CID 103340526) is 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide is C=CCN(CCOC)S(=O)(=O)c1ccc(CNC2CC2)o1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide?
The InChIKey is AFRSCRCCKVTZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-8-16(9-10-19-2)21(17,18)14-7-6-13(20-14)11-15-12-4-5-12/h3,6-7,12,15H,1,4-5,8-11H2,2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide is sourced from PubChem (CID 103340526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).