2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride

C15H24ClN3O3S — CID 119651546

IUPAC2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-10-7-12(8-14(11(10)2)22(16,20)21)15(19)18-6-4-5-13(18)9-17-3;/h7-8,13,17H,4-6,9H2,1-3H3,(H2,16,20,21);1H
InChIKeyLZFWIPVXXMABLX-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.20
Rot. Bonds4

About 2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride

2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride (PubChem CID 119651546) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
PubChem CID119651546
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-10-7-12(8-14(11(10)2)22(16,20)21)15(19)18-6-4-5-13(18)9-17-3;/h7-8,13,17H,4-6,9H2,1-3H3,(H2,16,20,21);1H
InChIKeyLZFWIPVXXMABLX-UHFFFAOYSA-N
XLogP1.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119469135
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250
(4-bromo-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113396869
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119647652
(3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107704932
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
(4-ethylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651635
(3-methoxy-4-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484301
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119412777
(3-bromo-5-fluorophenyl)-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 129380585
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119486602

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride (CID 119651546) is 2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride is CNCC1CCCN1C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1.Cl.
What is the InChIKey of 2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The InChIKey is LZFWIPVXXMABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-10-7-12(8-14(11(10)2)22(16,20)21)15(19)18-6-4-5-13(18)9-17-3;/h7-8,13,17H,4-6,9H2,1-3H3,(H2,16,20,21);1H.
What are the key properties of 2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride?
2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119651546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).