2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide

C12H20N2O3S — CID 62347850

IUPAC2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1OCCCN
InChIInChI=1S/C12H20N2O3S/c1-10(2)14-18(15,16)12-7-4-3-6-11(12)17-9-5-8-13/h3-4,6-7,10,14H,5,8-9,13H2,1-2H3
InChIKeyQVNDCADNVZTZQZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.10
Rot. Bonds7

About 2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide

2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide (PubChem CID 62347850) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide
PubChem CID62347850
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1OCCCN
InChIInChI=1S/C12H20N2O3S/c1-10(2)14-18(15,16)12-7-4-3-6-11(12)17-9-5-8-13/h3-4,6-7,10,14H,5,8-9,13H2,1-2H3
InChIKeyQVNDCADNVZTZQZ-UHFFFAOYSA-N
XLogP1.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-propylbenzenesulfonamide
CID 62349526
3-(2-ethylsulfonylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55065454
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide
CID 55161343
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
3-[2-(2-fluoropropan-2-yl)phenoxy]propan-1-amine
CID 115027439
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
1-ethylsulfonyl-2-pentoxybenzene;pentane
CID 174761718

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide (CID 62347850) is 2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1OCCCN.
What is the InChIKey of 2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QVNDCADNVZTZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(2)14-18(15,16)12-7-4-3-6-11(12)17-9-5-8-13/h3-4,6-7,10,14H,5,8-9,13H2,1-2H3.
What are the key properties of 2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide?
2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 62347850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).