2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

C18H29N3O4S — CID 119543843

IUPAC2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCNCC1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1
InChIInChI=1S/C18H29N3O4S/c1-13(2)20-26(23,24)17-11-15(5-6-16(17)25-4)18(22)21-9-7-14(8-10-21)12-19-3/h5-6,11,13-14,19-20H,7-10,12H2,1-4H3
InChIKeyJPJLQFBJMVFFEL-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.45
Rot. Bonds7

About 2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 119543843) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID119543843
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCNCC1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1
InChIInChI=1S/C18H29N3O4S/c1-13(2)20-26(23,24)17-11-15(5-6-16(17)25-4)18(22)21-9-7-14(8-10-21)12-19-3/h5-6,11,13-14,19-20H,7-10,12H2,1-4H3
InChIKeyJPJLQFBJMVFFEL-UHFFFAOYSA-N
XLogP1.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119543842
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119401125
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396993
(3S,4S)-1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952831
N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 119544817
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119541678
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256273
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 29261965

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (CID 119543843) is 2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is CNCC1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1.
What is the InChIKey of 2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is JPJLQFBJMVFFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-13(2)20-26(23,24)17-11-15(5-6-16(17)25-4)18(22)21-9-7-14(8-10-21)12-19-3/h5-6,11,13-14,19-20H,7-10,12H2,1-4H3.
What are the key properties of 2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 383.51 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 119543843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).