N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide

C18H29N3O5S — CID 119466628

IUPACN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)N2CCCCC2CN)cc1OCC
InChIInChI=1S/C18H29N3O5S/c1-3-25-16-9-8-15(11-17(16)26-4-2)27(23,24)20-13-18(22)21-10-6-5-7-14(21)12-19/h8-9,11,14,20H,3-7,10,12-13,19H2,1-2H3
InChIKeyLSLBCNPJQFEJNQ-UHFFFAOYSA-N
MW399.51 g/mol
LogP1.10
Rot. Bonds9

About N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide

N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide (PubChem CID 119466628) has the molecular formula C18H29N3O5S and a molecular weight of 399.51 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
PubChem CID119466628
Molecular FormulaC18H29N3O5S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC NameN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)N2CCCCC2CN)cc1OCC
InChIInChI=1S/C18H29N3O5S/c1-3-25-16-9-8-15(11-17(16)26-4-2)27(23,24)20-13-18(22)21-10-6-5-7-14(21)12-19/h8-9,11,14,20H,3-7,10,12-13,19H2,1-2H3
InChIKeyLSLBCNPJQFEJNQ-UHFFFAOYSA-N
XLogP1.10
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119631400
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119409785
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119633825
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 112995571
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 112995596
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119468452
4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995607
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 120658682
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride
CID 119466557
N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
CID 55913304
N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide
CID 9055954
2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride
CID 119424877

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide (CID 119466628) is N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC(=O)N2CCCCC2CN)cc1OCC.
What is the InChIKey of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide?
The InChIKey is LSLBCNPJQFEJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S/c1-3-25-16-9-8-15(11-17(16)26-4-2)27(23,24)20-13-18(22)21-10-6-5-7-14(21)12-19/h8-9,11,14,20H,3-7,10,12-13,19H2,1-2H3.
What are the key properties of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide?
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide has a molecular weight of 399.51 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 119466628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).