4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C15H25N3O2S — CID 106919384

IUPAC4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCN2CCCC2)ccc1CN
InChIInChI=1S/C15H25N3O2S/c1-13-11-15(6-5-14(13)12-16)21(19,20)17(2)9-10-18-7-3-4-8-18/h5-6,11H,3-4,7-10,12,16H2,1-2H3
InChIKeyJLWFACPNVYNXAL-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.17
Rot. Bonds6

About 4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 106919384) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID106919384
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCN2CCCC2)ccc1CN
InChIInChI=1S/C15H25N3O2S/c1-13-11-15(6-5-14(13)12-16)21(19,20)17(2)9-10-18-7-3-4-8-18/h5-6,11H,3-4,7-10,12,16H2,1-2H3
InChIKeyJLWFACPNVYNXAL-UHFFFAOYSA-N
XLogP1.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63288906
4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
CID 106919113
3-amino-4-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207084
4-(2-aminoethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63208977
6-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 63209121
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 63265210
4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63211293
4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110753644
4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106919156
N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110753645
4-(aminomethyl)-2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 79179859

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 106919384) is 4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CCN2CCCC2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is JLWFACPNVYNXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-13-11-15(6-5-14(13)12-16)21(19,20)17(2)9-10-18-7-3-4-8-18/h5-6,11H,3-4,7-10,12,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106919384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).