N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine

C14H24N2O3S — CID 79187132

IUPACN-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(S(=O)(=O)N2CC(C)C(C)C2)c(C)o1
InChIInChI=1S/C14H24N2O3S/c1-5-15-7-13-6-14(12(4)19-13)20(17,18)16-8-10(2)11(3)9-16/h6,10-11,15H,5,7-9H2,1-4H3
InChIKeyDRGJHFSSYBZDRX-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.97
Rot. Bonds5

About N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine

N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine (PubChem CID 79187132) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine
PubChem CID79187132
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(S(=O)(=O)N2CC(C)C(C)C2)c(C)o1
InChIInChI=1S/C14H24N2O3S/c1-5-15-7-13-6-14(12(4)19-13)20(17,18)16-8-10(2)11(3)9-16/h6,10-11,15H,5,7-9H2,1-4H3
InChIKeyDRGJHFSSYBZDRX-UHFFFAOYSA-N
XLogP1.97
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine (CID 79187132) is N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine is CCNCc1cc(S(=O)(=O)N2CC(C)C(C)C2)c(C)o1.
What is the InChIKey of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is DRGJHFSSYBZDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-15-7-13-6-14(12(4)19-13)20(17,18)16-8-10(2)11(3)9-16/h6,10-11,15H,5,7-9H2,1-4H3.
What are the key properties of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine?
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 300.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 79187132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).