1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine

C15H25N3O2S — CID 120876960

IUPAC1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(S(=O)(=O)N2CCC(C)(CN)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-15(11-16)8-9-18(12-15)21(19,20)14-6-4-13(5-7-14)10-17(2)3/h4-7H,8-12,16H2,1-3H3
InChIKeyJHZGOZGQYQPYCR-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.11
Rot. Bonds5

About 1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine

1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine (PubChem CID 120876960) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine
PubChem CID120876960
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(S(=O)(=O)N2CCC(C)(CN)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-15(11-16)8-9-18(12-15)21(19,20)14-6-4-13(5-7-14)10-17(2)3/h4-7H,8-12,16H2,1-3H3
InChIKeyJHZGOZGQYQPYCR-UHFFFAOYSA-N
XLogP1.11
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777223
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride
CID 120777447
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 120777230
[3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777080
[1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777526
[3-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777409
[3-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777216
ethyl 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 120777681
[1-(3-fluoro-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777837
[1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777756
[1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777755

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine (CID 120876960) is 1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(S(=O)(=O)N2CCC(C)(CN)C2)cc1.
What is the InChIKey of 1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine?
The InChIKey is JHZGOZGQYQPYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(11-16)8-9-18(12-15)21(19,20)14-6-4-13(5-7-14)10-17(2)3/h4-7H,8-12,16H2,1-3H3.
What are the key properties of 1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine?
1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine has a molecular weight of 311.45 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 120876960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).