N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine

C13H21N3O2S — CID 138020894

IUPACN-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine
SMILESCNc1ccccc1CNC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H21N3O2S/c1-14-13-6-4-3-5-11(13)9-15-12-7-8-16(10-12)19(2,17)18/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyVZYFBUHOXJPWJS-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.85
Rot. Bonds5

About N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine

N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine (PubChem CID 138020894) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine
PubChem CID138020894
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine
SMILESCNc1ccccc1CNC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H21N3O2S/c1-14-13-6-4-3-5-11(13)9-15-12-7-8-16(10-12)19(2,17)18/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyVZYFBUHOXJPWJS-UHFFFAOYSA-N
XLogP0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine
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(3R)-N-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-1-methylsulfonylpyrrolidin-3-amine
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2-fluoro-4-[2-hydroxy-6-[[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
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N-iodo-1-methylsulfonylpyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine?
The IUPAC name of N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine (CID 138020894) is N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine?
The canonical SMILES for N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine is CNc1ccccc1CNC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine?
The InChIKey is VZYFBUHOXJPWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-14-13-6-4-3-5-11(13)9-15-12-7-8-16(10-12)19(2,17)18/h3-6,12,14-15H,7-10H2,1-2H3.
What are the key properties of N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine?
N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine has a molecular weight of 283.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 138020894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).