3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide

C12H20N2O3S — CID 82948814

IUPAC3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H20N2O3S/c1-10(2)14(7-8-17-3)18(15,16)12-6-4-5-11(13)9-12/h4-6,9-10H,7-8,13H2,1-3H3
InChIKeyUJYVDEUHEXKORJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.31
Rot. Bonds6

About 3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide

3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 82948814) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID82948814
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H20N2O3S/c1-10(2)14(7-8-17-3)18(15,16)12-6-4-5-11(13)9-12/h4-6,9-10H,7-8,13H2,1-3H3
InChIKeyUJYVDEUHEXKORJ-UHFFFAOYSA-N
XLogP1.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82959752
3-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82965253
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 82948618
4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82949208
3-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060778
3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948850
4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 102931550
3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82943175
N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
CID 81258859
2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide
CID 62151483
N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 52620638

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (CID 82948814) is 3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is COCCN(C(C)C)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UJYVDEUHEXKORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(2)14(7-8-17-3)18(15,16)12-6-4-5-11(13)9-12/h4-6,9-10H,7-8,13H2,1-3H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82948814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).