N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide

C16H28N2O2S — CID 106031496

IUPACN-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide
SMILESCCCNCc1ccc(CS(=O)(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-11-17-12-14-7-9-15(10-8-14)13-21(19,20)18-16(3,4)6-2/h7-10,17-18H,5-6,11-13H2,1-4H3
InChIKeyLMAPNCOLZLTPAM-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.79
Rot. Bonds9

About N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide

N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide (PubChem CID 106031496) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide
PubChem CID106031496
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide
SMILESCCCNCc1ccc(CS(=O)(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-11-17-12-14-7-9-15(10-8-14)13-21(19,20)18-16(3,4)6-2/h7-10,17-18H,5-6,11-13H2,1-4H3
InChIKeyLMAPNCOLZLTPAM-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.79
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

1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide
CID 29032685
1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide
CID 106331914
4-(2-methylbutan-2-ylsulfamoylmethyl)benzenecarbothioamide
CID 28524624
N-(2-methylbutan-2-yl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106031498
N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
CID 61486165
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-[[4-(chloromethyl)phenyl]methyl]propan-1-amine
CID 107232944
4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60821922
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
CID 120716079
N-(2-methylbutan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106031472

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide (CID 106031496) is N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide is CCCNCc1ccc(CS(=O)(=O)NC(C)(C)CC)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide?
The InChIKey is LMAPNCOLZLTPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-11-17-12-14-7-9-15(10-8-14)13-21(19,20)18-16(3,4)6-2/h7-10,17-18H,5-6,11-13H2,1-4H3.
What are the key properties of N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide?
N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 106031496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).