N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide

C15H23N3O3S — CID 120777604

IUPACN-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CCC(C)(CN)C2)ccc1C
InChIInChI=1S/C15H23N3O3S/c1-11-4-5-13(8-14(11)17-12(2)19)22(20,21)18-7-6-15(3,9-16)10-18/h4-5,8H,6-7,9-10,16H2,1-3H3,(H,17,19)
InChIKeyRJGPAVWRYOOHFC-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.31
Rot. Bonds4

About N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide

N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide (PubChem CID 120777604) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
PubChem CID120777604
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CCC(C)(CN)C2)ccc1C
InChIInChI=1S/C15H23N3O3S/c1-11-4-5-13(8-14(11)17-12(2)19)22(20,21)18-7-6-15(3,9-16)10-18/h4-5,8H,6-7,9-10,16H2,1-3H3,(H,17,19)
InChIKeyRJGPAVWRYOOHFC-UHFFFAOYSA-N
XLogP1.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzamide
CID 120777392
[1-(3-fluoro-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777837
[3-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778301
[3-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777216
1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 120777678
[1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777526
methyl 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-fluorobenzoate
CID 120777942
N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-2,2,2-trifluoroacetamide
CID 120778234
[3-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777223
1-[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 120777741
N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride
CID 120777447
ethyl 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 120777681

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide (CID 120777604) is N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)N2CCC(C)(CN)C2)ccc1C.
What is the InChIKey of N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
The InChIKey is RJGPAVWRYOOHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11-4-5-13(8-14(11)17-12(2)19)22(20,21)18-7-6-15(3,9-16)10-18/h4-5,8H,6-7,9-10,16H2,1-3H3,(H,17,19).
What are the key properties of N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide is sourced from PubChem (CID 120777604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).