N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide

C8H20N2O3S — CID 115303463

IUPACN-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C8H20N2O3S/c1-8(2,9)7-10-14(11,12)6-4-5-13-3/h10H,4-7,9H2,1-3H3
InChIKeyWCLTXMVSBDJRTH-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.32
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide

N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide (PubChem CID 115303463) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
PubChem CID115303463
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC NameN-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C8H20N2O3S/c1-8(2,9)7-10-14(11,12)6-4-5-13-3/h10H,4-7,9H2,1-3H3
InChIKeyWCLTXMVSBDJRTH-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-(2-amino-2-methylpropyl)butane-1-sulfonamide
CID 115303565
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113347924
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
N-(2-amino-2-methylpropyl)ethanesulfonamide
CID 115303418
3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide
CID 146352889
3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 104759977
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
CID 115456941
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
N-(3-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290049

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide (CID 115303463) is N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is WCLTXMVSBDJRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-8(2,9)7-10-14(11,12)6-4-5-13-3/h10H,4-7,9H2,1-3H3.
What are the key properties of N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide?
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 115303463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).