5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine

C18H24N2O3S — CID 3720844

IUPAC5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine
SMILESCOCC1CCCN1S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H24N2O3S/c1-19(2)17-10-4-9-16-15(17)8-5-11-18(16)24(21,22)20-12-6-7-14(20)13-23-3/h4-5,8-11,14H,6-7,12-13H2,1-3H3
InChIKeyJRXOUDSNNLNJJO-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.71
Rot. Bonds5

About 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine

5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine (PubChem CID 3720844) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine
PubChem CID3720844
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine
SMILESCOCC1CCCN1S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H24N2O3S/c1-19(2)17-10-4-9-16-15(17)8-5-11-18(16)24(21,22)20-12-6-7-14(20)13-23-3/h4-5,8-11,14H,6-7,12-13H2,1-3H3
InChIKeyJRXOUDSNNLNJJO-UHFFFAOYSA-N
XLogP2.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine 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

(2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 6921745
1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 123787937
5-[[4,7-bis[[5-(dimethylamino)naphthalen-1-yl]sulfonyl]-1,4,7-triazonan-1-yl]sulfonyl]-N,N-dimethylnaphthalen-1-amine
CID 15025915
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
CID 74224270
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 75425163
4-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 3695622
N,N-dimethyl-5-(4-nitrosopiperazin-1-yl)sulfonylnaphthalen-1-amine
CID 10383124
1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 3718020
5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 14098042
[4-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperazin-1-yl]-hydroxyimino-oxidoazanium
CID 136674213
1-[2-[4-(dimethylamino)phenyl]azepan-1-yl]-2-[(1-naphthalen-1-ylsulfonylpiperidin-2-yl)methoxy]ethanone
CID 24944983
(4aS,7aR)-3-benzyl-5-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-4a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11867604

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine (CID 3720844) is 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine is COCC1CCCN1S(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine?
The InChIKey is JRXOUDSNNLNJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-19(2)17-10-4-9-16-15(17)8-5-11-18(16)24(21,22)20-12-6-7-14(20)13-23-3/h4-5,8-11,14H,6-7,12-13H2,1-3H3.
What are the key properties of 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine?
5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine has a molecular weight of 348.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 3720844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).