N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

C18H29N3O3S — CID 119396945

IUPACN-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCNCC1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)C1
InChIInChI=1S/C18H29N3O3S/c1-14(2)20(4)25(23,24)17-9-5-8-16(11-17)18(22)21-10-6-7-15(13-21)12-19-3/h5,8-9,11,14-15,19H,6-7,10,12-13H2,1-4H3
InChIKeyVSYJZPWPUXSRQG-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.79
Rot. Bonds6

About N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 119396945) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID119396945
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCNCC1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)C1
InChIInChI=1S/C18H29N3O3S/c1-14(2)20(4)25(23,24)17-9-5-8-16(11-17)18(22)21-10-6-7-15(13-21)12-19-3/h5,8-9,11,14-15,19H,6-7,10,12-13H2,1-4H3
InChIKeyVSYJZPWPUXSRQG-UHFFFAOYSA-N
XLogP1.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973
[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 61205641
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119411388
N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394896
3-(azepane-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 35810133
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119632815
N-methyl-3-(3-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119578603
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (CID 119396945) is N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is CNCC1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)C1.
What is the InChIKey of N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VSYJZPWPUXSRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-14(2)20(4)25(23,24)17-9-5-8-16(11-17)18(22)21-10-6-7-15(13-21)12-19-3/h5,8-9,11,14-15,19H,6-7,10,12-13H2,1-4H3.
What are the key properties of N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 119396945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).