N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide

C15H24N2O2S — CID 60824957

IUPACN-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)N(CC)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11-16-12-13-5-9-15(10-6-13)20(18,19)17(4-2)14-7-8-14/h5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyHQWFKTSMBVYFCQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.36
Rot. Bonds8

About N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide

N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide (PubChem CID 60824957) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide
PubChem CID60824957
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)N(CC)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11-16-12-13-5-9-15(10-6-13)20(18,19)17(4-2)14-7-8-14/h5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyHQWFKTSMBVYFCQ-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43264442
N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide
CID 62143418
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 107091207
N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide
CID 55071483
4-[cyclopropyl(ethyl)sulfamoyl]-N-methylbenzamide
CID 24679124
4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43662724
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
N-cyclopentyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43541535
N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 54995263
4-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264374

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide (CID 60824957) is N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide is CCCNCc1ccc(S(=O)(=O)N(CC)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide?
The InChIKey is HQWFKTSMBVYFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-11-16-12-13-5-9-15(10-6-13)20(18,19)17(4-2)14-7-8-14/h5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide?
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 60824957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).