N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide

C14H24N2O2S — CID 55233408

IUPACN-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)N(Cc1cccc(N)c1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-11(2)16(19(17,18)14(3,4)5)10-12-7-6-8-13(15)9-12/h6-9,11H,10,15H2,1-5H3
InChIKeyKODZRBSDUBSPOP-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.61
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide

N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide (PubChem CID 55233408) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide
PubChem CID55233408
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)N(Cc1cccc(N)c1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-11(2)16(19(17,18)14(3,4)5)10-12-7-6-8-13(15)9-12/h6-9,11H,10,15H2,1-5H3
InChIKeyKODZRBSDUBSPOP-UHFFFAOYSA-N
XLogP2.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[propan-2-yl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
CID 106725918
2-[(3-aminophenyl)methyl-propan-2-ylamino]-N-tert-butylacetamide
CID 43460254
2-[(3-aminophenyl)methyl-propan-2-ylamino]-N-tert-butylpropanamide
CID 43460327
N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide
CID 43460760
3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline
CID 61455986
1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
CID 61125836
1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
CID 114804340
N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 43460249
1-(3-aminophenyl)-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274176
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
3-[[(4-ethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64748919
3-[[(4-bromophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460270

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide (CID 55233408) is N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide is CC(C)N(Cc1cccc(N)c1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide?
The InChIKey is KODZRBSDUBSPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)16(19(17,18)14(3,4)5)10-12-7-6-8-13(15)9-12/h6-9,11H,10,15H2,1-5H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide?
N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 55233408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).