3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide

C11H18N2O3S — CID 54911342

IUPAC3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)CCCN)c1
InChIInChI=1S/C11H18N2O3S/c1-16-11-5-2-4-10(8-11)9-13-17(14,15)7-3-6-12/h2,4-5,8,13H,3,6-7,9,12H2,1H3
InChIKeyHNYPNXDCHWVMRX-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.46
Rot. Bonds7

About 3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide

3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide (PubChem CID 54911342) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
PubChem CID54911342
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)CCCN)c1
InChIInChI=1S/C11H18N2O3S/c1-16-11-5-2-4-10(8-11)9-13-17(14,15)7-3-6-12/h2,4-5,8,13H,3,6-7,9,12H2,1H3
InChIKeyHNYPNXDCHWVMRX-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[(3-methoxyphenyl)methyl]propane-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-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 62020158
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
4-amino-N-[(3-bromophenyl)methyl]butane-1-sulfonamide
CID 106018731
3-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropane-1-sulfonamide
CID 79585629
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide (CID 54911342) is 3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide is COc1cccc(CNS(=O)(=O)CCCN)c1.
What is the InChIKey of 3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide?
The InChIKey is HNYPNXDCHWVMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-16-11-5-2-4-10(8-11)9-13-17(14,15)7-3-6-12/h2,4-5,8,13H,3,6-7,9,12H2,1H3.
What are the key properties of 3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide?
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 54911342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).