N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide

C14H24N2O2S — CID 54921908

IUPACN-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-10-15-11-13-6-8-14(9-7-13)19(17,18)16(4)12(2)3/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyYSOJMKDOWJUKKX-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.22
Rot. Bonds7

About N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide

N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide (PubChem CID 54921908) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
PubChem CID54921908
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-10-15-11-13-6-8-14(9-7-13)19(17,18)16(4)12(2)3/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyYSOJMKDOWJUKKX-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.22
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

4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
CID 122030686
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide
CID 60824957
1-butyl-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 111150442
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
CID 47732115
N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824808
1-butyl-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine;hydroiodide
CID 111150441
N-(1-hydroxypropan-2-yl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 104552576
4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 60823872
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
1-ethyl-3-[(4-methylphenyl)methyl]-2-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 111243385
4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 119110260
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47731570

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide (CID 54921908) is N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide is CCCNCc1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide?
The InChIKey is YSOJMKDOWJUKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-10-15-11-13-6-8-14(9-7-13)19(17,18)16(4)12(2)3/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide?
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 54921908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).