3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide

C12H20N2O2S — CID 43265789

IUPAC3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C12H20N2O2S/c1-4-14(10(2)3)17(15,16)12-7-5-6-11(8-12)9-13/h5-8,10H,4,9,13H2,1-3H3
InChIKeyQTXOLEOIXJPQKS-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.56
Rot. Bonds5

About 3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide

3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 43265789) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID43265789
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C12H20N2O2S/c1-4-14(10(2)3)17(15,16)12-7-5-6-11(8-12)9-13/h5-8,10H,4,9,13H2,1-3H3
InChIKeyQTXOLEOIXJPQKS-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333565
4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 113370372
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173
(3-propylsulfonylphenyl)methanamine
CID 83926717
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide
CID 43374208
1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
CID 103188514
3-(chloromethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79489344
2-[[3-(cyanomethyl)phenyl]sulfonyl-ethylamino]propanoic acid
CID 154782487
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 54884408

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide (CID 43265789) is 3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide is CCN(C(C)C)S(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QTXOLEOIXJPQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-14(10(2)3)17(15,16)12-7-5-6-11(8-12)9-13/h5-8,10H,4,9,13H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide?
3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43265789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).