2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide

C14H24N2O4S — CID 106063009

IUPAC2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C14H24N2O4S/c1-10-13(9-15-3)14(11(2)20-10)21(17,18)16-8-12-4-6-19-7-5-12/h12,15-16H,4-9H2,1-3H3
InChIKeyLXNXJFXSRNVEIT-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.32
Rot. Bonds6

About 2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide

2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide (PubChem CID 106063009) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
PubChem CID106063009
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C14H24N2O4S/c1-10-13(9-15-3)14(11(2)20-10)21(17,18)16-8-12-4-6-19-7-5-12/h12,15-16H,4-9H2,1-3H3
InChIKeyLXNXJFXSRNVEIT-UHFFFAOYSA-N
XLogP1.32
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106024727
2-methyl-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106062930
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059178
2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084440
N-(3-methoxy-2-methylpropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106050786
N-(2-ethoxypropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106078802
4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092832
N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 114552199
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433836

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide (CID 106063009) is 2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide is CNCc1c(C)oc(C)c1S(=O)(=O)NCC1CCOCC1.
What is the InChIKey of 2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide?
The InChIKey is LXNXJFXSRNVEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-10-13(9-15-3)14(11(2)20-10)21(17,18)16-8-12-4-6-19-7-5-12/h12,15-16H,4-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide?
2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide is sourced from PubChem (CID 106063009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).