5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide

C15H20N2O3S — CID 106062422

IUPAC5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C15H20N2O3S/c1-11(8-13-6-4-3-5-7-13)17-21(18,19)15-9-14(10-16)20-12(15)2/h3-7,9,11,17H,8,10,16H2,1-2H3
InChIKeyNOKVMIZEZWKITP-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.96
Rot. Bonds6

About 5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide

5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide (PubChem CID 106062422) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide
PubChem CID106062422
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C15H20N2O3S/c1-11(8-13-6-4-3-5-7-13)17-21(18,19)15-9-14(10-16)20-12(15)2/h3-7,9,11,17H,8,10,16H2,1-2H3
InChIKeyNOKVMIZEZWKITP-UHFFFAOYSA-N
XLogP1.96
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012265
5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059070
5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106083828
5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide
CID 106002777
5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 114174620
4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide
CID 106004118
5-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106070672
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)furan-3-sulfonamide
CID 106086878
2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012952
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide (CID 106062422) is 5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide is Cc1oc(CN)cc1S(=O)(=O)NC(C)Cc1ccccc1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide?
The InChIKey is NOKVMIZEZWKITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(8-13-6-4-3-5-7-13)17-21(18,19)15-9-14(10-16)20-12(15)2/h3-7,9,11,17H,8,10,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106062422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).