4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide

C14H20N2O3S2 — CID 106004118

IUPAC4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NC(C)Cc2cccs2)c1CN
InChIInChI=1S/C14H20N2O3S2/c1-9(7-12-5-4-6-20-12)16-21(17,18)14-11(3)19-10(2)13(14)8-15/h4-6,9,16H,7-8,15H2,1-3H3
InChIKeyZKUCSWOKSBDTDV-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.33
Rot. Bonds6

About 4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide

4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide (PubChem CID 106004118) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide
PubChem CID106004118
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NC(C)Cc2cccs2)c1CN
InChIInChI=1S/C14H20N2O3S2/c1-9(7-12-5-4-6-20-12)16-21(17,18)14-11(3)19-10(2)13(14)8-15/h4-6,9,16H,7-8,15H2,1-3H3
InChIKeyZKUCSWOKSBDTDV-UHFFFAOYSA-N
XLogP2.33
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide
CID 114142062
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
4-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106054187
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291710
3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 106004402
4-(aminomethyl)-2,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)furan-3-sulfonamide
CID 106050903
4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291622
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 63292014
3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43708771
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63291970

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide (CID 106004118) is 4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide is Cc1oc(C)c(S(=O)(=O)NC(C)Cc2cccs2)c1CN.
What is the InChIKey of 4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide?
The InChIKey is ZKUCSWOKSBDTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-9(7-12-5-4-6-20-12)16-21(17,18)14-11(3)19-10(2)13(14)8-15/h4-6,9,16H,7-8,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide?
4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106004118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).