N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride

C15H24ClN3O3S — CID 120777447

IUPACN-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride
SMILESCC(=O)N(C)c1ccc(S(=O)(=O)N2CCC(C)(CN)C2)cc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-12(19)17(3)13-4-6-14(7-5-13)22(20,21)18-9-8-15(2,10-16)11-18;/h4-7H,8-11,16H2,1-3H3;1H
InChIKeyJQLKELXMLNSDFD-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.45
Rot. Bonds4

About N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride

N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride (PubChem CID 120777447) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride
PubChem CID120777447
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride
SMILESCC(=O)N(C)c1ccc(S(=O)(=O)N2CCC(C)(CN)C2)cc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-12(19)17(3)13-4-6-14(7-5-13)22(20,21)18-9-8-15(2,10-16)11-18;/h4-7H,8-11,16H2,1-3H3;1H
InChIKeyJQLKELXMLNSDFD-UHFFFAOYSA-N
XLogP1.45
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.45
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
1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine
CID 120876960
ethyl 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 120777681
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
CID 120777989
[3-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777409
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 120777230
[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone;hydrochloride
CID 120777983
1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 120777678
N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 120777604
N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-2,2,2-trifluoroacetamide
CID 120778234
1-[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 120777741

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride?
The IUPAC name of N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride (CID 120777447) is N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride is CC(=O)N(C)c1ccc(S(=O)(=O)N2CCC(C)(CN)C2)cc1.Cl.
What is the InChIKey of N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride?
The InChIKey is JQLKELXMLNSDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-12(19)17(3)13-4-6-14(7-5-13)22(20,21)18-9-8-15(2,10-16)11-18;/h4-7H,8-11,16H2,1-3H3;1H.
What are the key properties of N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride?
N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 120777447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).