N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide

C14H24N2O2S — CID 63687286

IUPACN-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide
SMILESCCCN(c1ccc(CN)cc1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-5-10-16(19(17,18)14(2,3)4)13-8-6-12(11-15)7-9-13/h6-9H,5,10-11,15H2,1-4H3
InChIKeyCJYVAFWPUNCNEB-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.49
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide

N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide (PubChem CID 63687286) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide
PubChem CID63687286
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide
SMILESCCCN(c1ccc(CN)cc1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-5-10-16(19(17,18)14(2,3)4)13-8-6-12(11-15)7-9-13/h6-9H,5,10-11,15H2,1-4H3
InChIKeyCJYVAFWPUNCNEB-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60911604
4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline
CID 106722660
N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide
CID 43275774
N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide
CID 43275778
4-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-methylaniline
CID 43807519
1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea
CID 43275802
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
4-(aminomethyl)-N-ethyl-N-(2-ethylsulfonylethyl)aniline
CID 43807520
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
CID 79154788
4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934
N-(4-aminophenyl)-N-propylpropane-2-sulfonamide
CID 63233852

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide (CID 63687286) is N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide is CCCN(c1ccc(CN)cc1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide?
The InChIKey is CJYVAFWPUNCNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-10-16(19(17,18)14(2,3)4)13-8-6-12(11-15)7-9-13/h6-9H,5,10-11,15H2,1-4H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide?
N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide is sourced from PubChem (CID 63687286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).