N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide

C13H22N2O2S — CID 63733559

IUPACN-(2-aminopropyl)-4-tert-butylbenzenesulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-10(14)9-15-18(16,17)12-7-5-11(6-8-12)13(2,3)4/h5-8,10,15H,9,14H2,1-4H3
InChIKeyDBTSGSRHCMCAKW-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.61
Rot. Bonds4

About N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide

N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide (PubChem CID 63733559) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4-tert-butylbenzenesulfonamide
PubChem CID63733559
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-aminopropyl)-4-tert-butylbenzenesulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-10(14)9-15-18(16,17)12-7-5-11(6-8-12)13(2,3)4/h5-8,10,15H,9,14H2,1-4H3
InChIKeyDBTSGSRHCMCAKW-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386
N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide
CID 124628497
3-[(4-tert-butylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936753
N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119050680
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide (CID 63733559) is N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide is CC(N)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide?
The InChIKey is DBTSGSRHCMCAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(14)9-15-18(16,17)12-7-5-11(6-8-12)13(2,3)4/h5-8,10,15H,9,14H2,1-4H3.
What are the key properties of N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide?
N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 63733559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).