3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide

C13H22N2O3S — CID 81259985

IUPAC3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCCNC(C)C)c1
InChIInChI=1S/C13H22N2O3S/c1-11(2)14-8-5-9-15-19(16,17)13-7-4-6-12(10-13)18-3/h4,6-7,10-11,14-15H,5,8-9H2,1-3H3
InChIKeyYSYATIGSYJXFKD-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.36
Rot. Bonds8

About 3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide

3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide (PubChem CID 81259985) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
PubChem CID81259985
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCCNC(C)C)c1
InChIInChI=1S/C13H22N2O3S/c1-11(2)14-8-5-9-15-19(16,17)13-7-4-6-12(10-13)18-3/h4,6-7,10-11,14-15H,5,8-9H2,1-3H3
InChIKeyYSYATIGSYJXFKD-UHFFFAOYSA-N
XLogP1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide 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-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid
CID 68502210
N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 90537996
ethyl 4-[(3-methoxyphenyl)sulfonylamino]butanoate
CID 81259857
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577
2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 107835264
4-methylsulfonyl-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606848
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
3,5-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606868
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide
CID 90524149
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide (CID 81259985) is 3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide is COc1cccc(S(=O)(=O)NCCCNC(C)C)c1.
What is the InChIKey of 3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide?
The InChIKey is YSYATIGSYJXFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11(2)14-8-5-9-15-19(16,17)13-7-4-6-12(10-13)18-3/h4,6-7,10-11,14-15H,5,8-9H2,1-3H3.
What are the key properties of 3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide?
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 81259985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).