N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline

C13H23N3O3S — CID 106911371

IUPACN-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline
SMILESCOCCNS(=O)(=O)Nc1cccc(CNC(C)C)c1
InChIInChI=1S/C13H23N3O3S/c1-11(2)14-10-12-5-4-6-13(9-12)16-20(17,18)15-7-8-19-3/h4-6,9,11,14-16H,7-8,10H2,1-3H3
InChIKeyWUGWKTCSCOSHBR-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.08
Rot. Bonds9

About N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline

N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline (PubChem CID 106911371) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline
PubChem CID106911371
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline
SMILESCOCCNS(=O)(=O)Nc1cccc(CNC(C)C)c1
InChIInChI=1S/C13H23N3O3S/c1-11(2)14-10-12-5-4-6-13(9-12)16-20(17,18)15-7-8-19-3/h4-6,9,11,14-16H,7-8,10H2,1-3H3
InChIKeyWUGWKTCSCOSHBR-UHFFFAOYSA-N
XLogP1.08
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.08
H-Bond Donors ≤ 53
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-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide
CID 106911370
[3-[(2-methoxyethylsulfamoylamino)methyl]phenyl]methanol
CID 114815669
3-[(2-methoxyethylsulfamoylamino)methyl]phenol
CID 114815535
3,3-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]butane-1-sulfonamide
CID 106911409
3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline
CID 114803317
3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
CID 114810494
4-bromo-1-N-(2-methoxyethylsulfamoyl)benzene-1,3-diamine
CID 114814198
3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid
CID 114814467
2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
CID 114815986
2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114002122
N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106911397

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline (CID 106911371) is N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline is COCCNS(=O)(=O)Nc1cccc(CNC(C)C)c1.
What is the InChIKey of N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline?
The InChIKey is WUGWKTCSCOSHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11(2)14-10-12-5-4-6-13(9-12)16-20(17,18)15-7-8-19-3/h4-6,9,11,14-16H,7-8,10H2,1-3H3.
What are the key properties of N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline?
N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline has a molecular weight of 301.41 g/mol, XLogP of 1.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 106911371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).