5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide

C14H24N2O4S — CID 106092877

IUPAC5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCC2CCOC2)c(C)o1
InChIInChI=1S/C14H24N2O4S/c1-3-15-9-13-8-14(11(2)20-13)21(17,18)16-6-4-12-5-7-19-10-12/h8,12,15-16H,3-7,9-10H2,1-2H3
InChIKeyBBFSQEHQSPVZEK-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.40
Rot. Bonds8

About 5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide

5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide (PubChem CID 106092877) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
PubChem CID106092877
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCC2CCOC2)c(C)o1
InChIInChI=1S/C14H24N2O4S/c1-3-15-9-13-8-14(11(2)20-13)21(17,18)16-6-4-12-5-7-19-10-12/h8,12,15-16H,3-7,9-10H2,1-2H3
InChIKeyBBFSQEHQSPVZEK-UHFFFAOYSA-N
XLogP1.40
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092829
5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059106
2-methyl-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106062930
5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106088321
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005
2-fluoro-5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092820
methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
CID 54932235
2-bromo-4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092876
4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092832
N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
CID 114552223
2-bromo-4-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002108
5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002086

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide (CID 106092877) is 5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCC2CCOC2)c(C)o1.
What is the InChIKey of 5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide?
The InChIKey is BBFSQEHQSPVZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-3-15-9-13-8-14(11(2)20-13)21(17,18)16-6-4-12-5-7-19-10-12/h8,12,15-16H,3-7,9-10H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide?
5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide is sourced from PubChem (CID 106092877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).