4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide

C12H20N2O2S — CID 16643225

IUPAC4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-10(2)14-17(15,16)12-6-4-11(5-7-12)8-9-13/h4-7,10,14H,3,8-9,13H2,1-2H3
InChIKeySIMWALQTORFLMP-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.26
Rot. Bonds6

About 4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide

4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide (PubChem CID 16643225) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
PubChem CID16643225
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-10(2)14-17(15,16)12-6-4-11(5-7-12)8-9-13/h4-7,10,14H,3,8-9,13H2,1-2H3
InChIKeySIMWALQTORFLMP-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945013
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
CID 79185012
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
3-[(4-propylphenyl)sulfonylamino]butanethioamide
CID 62093347
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 55262110
4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631806
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide (CID 16643225) is 4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide?
The InChIKey is SIMWALQTORFLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-10(2)14-17(15,16)12-6-4-11(5-7-12)8-9-13/h4-7,10,14H,3,8-9,13H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide?
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide is sourced from PubChem (CID 16643225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).