3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide

C15H25N3O2S — CID 115486456

IUPAC3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCC1CC(CN)CN1Cc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H25N3O2S/c1-12-7-14(9-16)11-18(12)10-13-5-4-6-15(8-13)21(19,20)17(2)3/h4-6,8,12,14H,7,9-11,16H2,1-3H3
InChIKeyUNVLEUJLPABTST-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.11
Rot. Bonds5

About 3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide

3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 115486456) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID115486456
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCC1CC(CN)CN1Cc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H25N3O2S/c1-12-7-14(9-16)11-18(12)10-13-5-4-6-15(8-13)21(19,20)17(2)3/h4-6,8,12,14H,7,9-11,16H2,1-3H3
InChIKeyUNVLEUJLPABTST-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-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486401
3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 119923881
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114681418
3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 112734019
(2S)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910755
3-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 47004137
3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59836579
3-[(4-amino-5-methyltriazol-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 79543098
N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119916692
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine
CID 124569518

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide (CID 115486456) is 3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide is CC1CC(CN)CN1Cc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UNVLEUJLPABTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-7-14(9-16)11-18(12)10-13-5-4-6-15(8-13)21(19,20)17(2)3/h4-6,8,12,14H,7,9-11,16H2,1-3H3.
What are the key properties of 3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide 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 3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 115486456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).