1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine

C14H22N2O4S — CID 103541531

IUPAC1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1S(=O)(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C14H22N2O4S/c1-15-8-11-6-4-5-7-14(11)21(17,18)16-9-12(19-2)13(10-16)20-3/h4-7,12-13,15H,8-10H2,1-3H3
InChIKeyPAFVGEKLCIYGRV-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.44
Rot. Bonds6

About 1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine

1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine (PubChem CID 103541531) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
PubChem CID103541531
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1S(=O)(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C14H22N2O4S/c1-15-8-11-6-4-5-7-14(11)21(17,18)16-9-12(19-2)13(10-16)20-3/h4-7,12-13,15H,8-10H2,1-3H3
InChIKeyPAFVGEKLCIYGRV-UHFFFAOYSA-N
XLogP0.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine
CID 104961563
1-[5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 103541579
1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-N-methylmethanamine
CID 103541533
1-[5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-N-methylmethanamine
CID 103541564
1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 103541547
[2-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 103532632
(3S,4R)-1-[2-(methoxymethyl)phenyl]sulfonyl-4-phenylpyrrolidin-3-amine
CID 120766979
[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
CID 103541161
N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline
CID 102964517
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 120710068
3-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-2,6-difluoroaniline
CID 107343973

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine (CID 103541531) is 1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine is CNCc1ccccc1S(=O)(=O)N1CC(OC)C(OC)C1.
What is the InChIKey of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The InChIKey is PAFVGEKLCIYGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-15-8-11-6-4-5-7-14(11)21(17,18)16-9-12(19-2)13(10-16)20-3/h4-7,12-13,15H,8-10H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine has a molecular weight of 314.41 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine is sourced from PubChem (CID 103541531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).