1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine

C15H24N2O2S — CID 79187487

IUPAC1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(CS(=O)(=O)N2CC(C)C(C)C2)cc1
InChIInChI=1S/C15H24N2O2S/c1-12-9-17(10-13(12)2)20(18,19)11-15-6-4-14(5-7-15)8-16-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeySFICVXNQPXPDJW-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.82
Rot. Bonds5

About 1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine

1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine (PubChem CID 79187487) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine
PubChem CID79187487
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(CS(=O)(=O)N2CC(C)C(C)C2)cc1
InChIInChI=1S/C15H24N2O2S/c1-12-9-17(10-13(12)2)20(18,19)11-15-6-4-14(5-7-15)8-16-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeySFICVXNQPXPDJW-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine
CID 79187205
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139
N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine
CID 66372096
1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498856
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
[4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine
CID 43105697
[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol
CID 104961468
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 79180625
4-benzylsulfonyl-1,2,6-trimethylpiperazine
CID 110662416
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 79178519
1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 79187627
1-benzylsulfonyl-3-methylpiperidin-4-ol
CID 114501633

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine (CID 79187487) is 1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine is CNCc1ccc(CS(=O)(=O)N2CC(C)C(C)C2)cc1.
What is the InChIKey of 1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine?
The InChIKey is SFICVXNQPXPDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-9-17(10-13(12)2)20(18,19)11-15-6-4-14(5-7-15)8-16-3/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of 1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine?
1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine has a molecular weight of 296.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 79187487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).