5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

C17H27N3O3S — CID 119647652

IUPAC5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCCNCC1CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C17H27N3O3S/c1-4-19-11-14-5-7-20(8-6-14)17(21)15-9-12(2)13(3)16(10-15)24(18,22)23/h9-10,14,19H,4-8,11H2,1-3H3,(H2,18,22,23)
InChIKeyLHOFLYKIDHISME-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.41
Rot. Bonds5

About 5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 119647652) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
PubChem CID119647652
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCCNCC1CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C17H27N3O3S/c1-4-19-11-14-5-7-20(8-6-14)17(21)15-9-12(2)13(3)16(10-15)24(18,22)23/h9-10,14,19H,4-8,11H2,1-3H3,(H2,18,22,23)
InChIKeyLHOFLYKIDHISME-UHFFFAOYSA-N
XLogP1.41
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119486602
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119412777
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 80550728
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 119638653
2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119651546
5-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 163318137
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
5-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 70741466
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437

Frequently Asked Questions

What is the IUPAC name of 5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (CID 119647652) is 5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is CCNCC1CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is LHOFLYKIDHISME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-4-19-11-14-5-7-20(8-6-14)17(21)15-9-12(2)13(3)16(10-15)24(18,22)23/h9-10,14,19H,4-8,11H2,1-3H3,(H2,18,22,23).
What are the key properties of 5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 353.49 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 119647652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).