4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide

C12H20N2O2S — CID 43102631

IUPAC4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C12H20N2O2S/c1-9(13)10-5-7-11(8-6-10)17(15,16)14-12(2,3)4/h5-9,14H,13H2,1-4H3
InChIKeyCTOJCQHKDTVGGE-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.78
Rot. Bonds3

About 4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide

4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide (PubChem CID 43102631) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide
PubChem CID43102631
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C12H20N2O2S/c1-9(13)10-5-7-11(8-6-10)17(15,16)14-12(2,3)4/h5-9,14H,13H2,1-4H3
InChIKeyCTOJCQHKDTVGGE-UHFFFAOYSA-N
XLogP1.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminoethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330066
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433
4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43097507
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588980
4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485629
4-(1-aminoethyl)-N-pentylbenzenesulfonamide
CID 43095770
4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63959615
2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide
CID 61465790

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide (CID 43102631) is 4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide is CC(N)c1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide?
The InChIKey is CTOJCQHKDTVGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(13)10-5-7-11(8-6-10)17(15,16)14-12(2,3)4/h5-9,14H,13H2,1-4H3.
What are the key properties of 4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide?
4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 43102631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).