[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine

C15H24N2O3S — CID 83220075

IUPAC[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(CN)ccc1OC
InChIInChI=1S/C15H24N2O3S/c1-4-13-7-5-11(2)17(13)21(18,19)15-9-12(10-16)6-8-14(15)20-3/h6,8-9,11,13H,4-5,7,10,16H2,1-3H3
InChIKeyZXAAIEAPTXDNID-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.11
Rot. Bonds5

About [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine

[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine (PubChem CID 83220075) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine
PubChem CID83220075
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(CN)ccc1OC
InChIInChI=1S/C15H24N2O3S/c1-4-13-7-5-11(2)17(13)21(18,19)15-9-12(10-16)6-8-14(15)20-3/h6,8-9,11,13H,4-5,7,10,16H2,1-3H3
InChIKeyZXAAIEAPTXDNID-UHFFFAOYSA-N
XLogP2.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine
CID 83218669
[3-bromo-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methylphenyl]methanamine
CID 83219304
[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
CID 83224560
2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine
CID 83228170
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide
CID 106091059
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
[4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106317332
4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
CID 83217894
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
CID 83227764
3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine
CID 83218690
5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
CID 106084299
[4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine
CID 102704769

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine?
The IUPAC name of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine (CID 83220075) is [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine is CCC1CCC(C)N1S(=O)(=O)c1cc(CN)ccc1OC.
What is the InChIKey of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine?
The InChIKey is ZXAAIEAPTXDNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-13-7-5-11(2)17(13)21(18,19)15-9-12(10-16)6-8-14(15)20-3/h6,8-9,11,13H,4-5,7,10,16H2,1-3H3.
What are the key properties of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine?
[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine has a molecular weight of 312.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine is sourced from PubChem (CID 83220075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).