3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide

C13H21N3O3S — CID 107469929

IUPAC3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1NS(=O)(=O)CCC(C)C
InChIInChI=1S/C13H21N3O3S/c1-9(2)7-8-20(17,18)16-12-10(13(14)15)5-4-6-11(12)19-3/h4-6,9,16H,7-8H2,1-3H3,(H3,14,15)
InChIKeyDQPZFTXBTWSCBF-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.77
Rot. Bonds7

About 3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide

3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide (PubChem CID 107469929) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide
PubChem CID107469929
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1NS(=O)(=O)CCC(C)C
InChIInChI=1S/C13H21N3O3S/c1-9(2)7-8-20(17,18)16-12-10(13(14)15)5-4-6-11(12)19-3/h4-6,9,16H,7-8H2,1-3H3,(H3,14,15)
InChIKeyDQPZFTXBTWSCBF-UHFFFAOYSA-N
XLogP1.77
TPSA105.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide 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

3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarbothioamide
CID 107468665
3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107469971
3-methoxy-4-(3-methylbutylsulfonylamino)benzenecarboximidamide
CID 104850112
3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide
CID 107469946
ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate
CID 107469921
3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
CID 107469909
1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea
CID 107469918
2-(4-methylpentoxy)benzenecarboximidamide
CID 29002875
N-(2-hydroxy-6-methylphenyl)-3-methylbutane-1-sulfonamide
CID 55259954
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide
CID 107469923
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide?
The IUPAC name of 3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide (CID 107469929) is 3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide.
What is the SMILES notation for 3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide?
The canonical SMILES for 3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide is [H]/N=C(\N)c1cccc(OC)c1NS(=O)(=O)CCC(C)C.
What is the InChIKey of 3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide?
The InChIKey is DQPZFTXBTWSCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)7-8-20(17,18)16-12-10(13(14)15)5-4-6-11(12)19-3/h4-6,9,16H,7-8H2,1-3H3,(H3,14,15).
What are the key properties of 3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide?
3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide has a molecular weight of 299.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide is sourced from PubChem (CID 107469929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).