N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide

C16H22N2O3S — CID 52910564

IUPACN-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
SMILESC=C1CCN(C(=O)c2cc(S(=O)(=O)NCC)ccc2C)CC1
InChIInChI=1S/C16H22N2O3S/c1-4-17-22(20,21)14-6-5-13(3)15(11-14)16(19)18-9-7-12(2)8-10-18/h5-6,11,17H,2,4,7-10H2,1,3H3
InChIKeyNXEGHOBQRZEXEI-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.09
Rot. Bonds4

About N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide

N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 52910564) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
PubChem CID52910564
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
SMILESC=C1CCN(C(=O)c2cc(S(=O)(=O)NCC)ccc2C)CC1
InChIInChI=1S/C16H22N2O3S/c1-4-17-22(20,21)14-6-5-13(3)15(11-14)16(19)18-9-7-12(2)8-10-18/h5-6,11,17H,2,4,7-10H2,1,3H3
InChIKeyNXEGHOBQRZEXEI-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide
CID 119400509
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17451861
N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119543123
1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257445
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 119635407
4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid
CID 119239991
N-ethyl-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide
CID 55955544
N-ethyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-4-methylbenzenesulfonamide
CID 34286430
N-ethyl-4-methyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzenesulfonamide
CID 27810029
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide (CID 52910564) is N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide is C=C1CCN(C(=O)c2cc(S(=O)(=O)NCC)ccc2C)CC1.
What is the InChIKey of N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is NXEGHOBQRZEXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-4-17-22(20,21)14-6-5-13(3)15(11-14)16(19)18-9-7-12(2)8-10-18/h5-6,11,17H,2,4,7-10H2,1,3H3.
What are the key properties of N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide?
N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 52910564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).