2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine

C16H27N3O4S — CID 110622752

IUPAC2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine
SMILESCCNS(=O)(=O)NCC(c1ccc(OC)c(OC)c1)N1CCCC1
InChIInChI=1S/C16H27N3O4S/c1-4-17-24(20,21)18-12-14(19-9-5-6-10-19)13-7-8-15(22-2)16(11-13)23-3/h7-8,11,14,17-18H,4-6,9-10,12H2,1-3H3
InChIKeyASFSJSBSWJASNK-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.28
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine

2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 110622752) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine
PubChem CID110622752
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine
SMILESCCNS(=O)(=O)NCC(c1ccc(OC)c(OC)c1)N1CCCC1
InChIInChI=1S/C16H27N3O4S/c1-4-17-24(20,21)18-12-14(19-9-5-6-10-19)13-7-8-15(22-2)16(11-13)23-3/h7-8,11,14,17-18H,4-6,9-10,12H2,1-3H3
InChIKeyASFSJSBSWJASNK-UHFFFAOYSA-N
XLogP1.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine
CID 110622738
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
CID 92967700
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 112505175
3,4-dimethoxy-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 40828884
N-[[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]sulfamoyl]propan-1-amine
CID 110620754
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine
CID 110826980
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 110826529
2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110626613

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine (CID 110622752) is 2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine is CCNS(=O)(=O)NCC(c1ccc(OC)c(OC)c1)N1CCCC1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is ASFSJSBSWJASNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-4-17-24(20,21)18-12-14(19-9-5-6-10-19)13-7-8-15(22-2)16(11-13)23-3/h7-8,11,14,17-18H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine?
2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 357.48 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 110622752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).