2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline

C15H24N2O3S — CID 64583155

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline
SMILESCCCNc1ccccc1S(=O)(=O)N1CCC(COC)C1
InChIInChI=1S/C15H24N2O3S/c1-3-9-16-14-6-4-5-7-15(14)21(18,19)17-10-8-13(11-17)12-20-2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyVXDXIIZVANRVTE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.17
Rot. Bonds7

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline

2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline (PubChem CID 64583155) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline
PubChem CID64583155
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline
SMILESCCCNc1ccccc1S(=O)(=O)N1CCC(COC)C1
InChIInChI=1S/C15H24N2O3S/c1-3-9-16-14-6-4-5-7-15(14)21(18,19)17-10-8-13(11-17)12-20-2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyVXDXIIZVANRVTE-UHFFFAOYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline
CID 102964517
1-[2-(chloromethyl)phenyl]sulfonyl-3-(methoxymethyl)piperidine
CID 106589952
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine
CID 64581559
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 106588741
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one
CID 64597440
[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol
CID 62151316
2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzenecarbothioamide
CID 64598521
3-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-2-methylaniline
CID 106585706
5-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 64568412
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline (CID 64583155) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline is CCCNc1ccccc1S(=O)(=O)N1CCC(COC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline?
The InChIKey is VXDXIIZVANRVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-9-16-14-6-4-5-7-15(14)21(18,19)17-10-8-13(11-17)12-20-2/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline?
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline has a molecular weight of 312.44 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline is sourced from PubChem (CID 64583155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).