1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide

C13H22N2O3S — CID 55139513

IUPAC1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H22N2O3S/c1-4-15(11(2)9-18-3)19(16,17)10-12-5-7-13(14)8-6-12/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyGUVLYVLIDRXJGT-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.46
Rot. Bonds7

About 1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide

1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide (PubChem CID 55139513) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide
PubChem CID55139513
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H22N2O3S/c1-4-15(11(2)9-18-3)19(16,17)10-12-5-7-13(14)8-6-12/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyGUVLYVLIDRXJGT-UHFFFAOYSA-N
XLogP1.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61111847
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 61111850
1-(3-aminophenyl)-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274176
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide
CID 61116214
N-[(4-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460051
1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide
CID 43265953
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61105109
1-(4-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylmethanesulfonamide
CID 63225184
2-amino-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 55043601
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79585384
4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline
CID 115341949
4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 62924340

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide (CID 55139513) is 1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide is CCN(C(C)COC)S(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide?
The InChIKey is GUVLYVLIDRXJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-15(11(2)9-18-3)19(16,17)10-12-5-7-13(14)8-6-12/h5-8,11H,4,9-10,14H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide?
1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide is sourced from PubChem (CID 55139513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).