N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide

C14H22N2O2S — CID 55071483

IUPACN-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC2CC2C)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-8-15-10-12-4-6-13(7-5-12)19(17,18)16-14-9-11(14)2/h4-7,11,14-16H,3,8-10H2,1-2H3
InChIKeyXYQUOELUAZNZSO-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.87
Rot. Bonds7

About N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide

N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide (PubChem CID 55071483) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide
PubChem CID55071483
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC2CC2C)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-8-15-10-12-4-6-13(7-5-12)19(17,18)16-14-9-11(14)2/h4-7,11,14-16H,3,8-10H2,1-2H3
InChIKeyXYQUOELUAZNZSO-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylcyclopropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 55071630
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide
CID 60824957
4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60821922
N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
CID 64920857
4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 60821742
4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62409796
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide
CID 64603458
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 79180625
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076304

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide (CID 55071483) is N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide is CCCNCc1ccc(S(=O)(=O)NC2CC2C)cc1.
What is the InChIKey of N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide?
The InChIKey is XYQUOELUAZNZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-8-15-10-12-4-6-13(7-5-12)19(17,18)16-14-9-11(14)2/h4-7,11,14-16H,3,8-10H2,1-2H3.
What are the key properties of N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide?
N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 55071483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).