2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine

C14H26N2O3S — CID 79858301

IUPAC2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(CN(C)CCS(C)(=O)=O)o1
InChIInChI=1S/C14H26N2O3S/c1-12(2)9-15-10-13-5-6-14(19-13)11-16(3)7-8-20(4,17)18/h5-6,12,15H,7-11H2,1-4H3
InChIKeyOTINCASUNNJSMG-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.50
Rot. Bonds9

About 2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 79858301) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID79858301
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(CN(C)CCS(C)(=O)=O)o1
InChIInChI=1S/C14H26N2O3S/c1-12(2)9-15-10-13-5-6-14(19-13)11-16(3)7-8-20(4,17)18/h5-6,12,15H,7-11H2,1-4H3
InChIKeyOTINCASUNNJSMG-UHFFFAOYSA-N
XLogP1.50
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62462201
2-methyl-N-[[5-methyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79841917
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 79858213
N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62426314
N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide
CID 83025121
N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine
CID 102997637
2-methyl-N-[[5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461209
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)aniline
CID 79843640
2-methyl-N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79311221
N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431088
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (CID 79858301) is 2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is CC(C)CNCc1ccc(CN(C)CCS(C)(=O)=O)o1.
What is the InChIKey of 2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is OTINCASUNNJSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-12(2)9-15-10-13-5-6-14(19-13)11-16(3)7-8-20(4,17)18/h5-6,12,15H,7-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 79858301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).