N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine

C16H26N2O2S — CID 115316524

IUPACN-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1S(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H26N2O2S/c1-13(2)11-14-6-8-16(9-7-14)21(19,20)18-10-4-5-15(18)12-17-3/h6-9,13,15,17H,4-5,10-12H2,1-3H3
InChIKeyWOEYUZFHRJZBTN-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.26
Rot. Bonds6

About N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine

N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 115316524) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
PubChem CID115316524
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1S(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H26N2O2S/c1-13(2)11-14-6-8-16(9-7-14)21(19,20)18-10-4-5-15(18)12-17-3/h6-9,13,15,17H,4-5,10-12H2,1-3H3
InChIKeyWOEYUZFHRJZBTN-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
N-methyl-1-[1-[4-(3-methylbutoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991195
N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991254
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776
N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 60974926
(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 94080813
N-methyl-1-[1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990906
2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride
CID 119991239
2-chloro-4-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 124604581
1-[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991298
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 50809596

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine (CID 115316524) is N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine is CNCC1CCCN1S(=O)(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is WOEYUZFHRJZBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(2)11-14-6-8-16(9-7-14)21(19,20)18-10-4-5-15(18)12-17-3/h6-9,13,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 310.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115316524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).