N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide

C11H18N2O2S — CID 103110469

IUPACN-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccc(N)c1C
InChIInChI=1S/C11H18N2O2S/c1-3-7-16(14,15)13-8-10-5-4-6-11(12)9(10)2/h4-6,13H,3,7-8,12H2,1-2H3
InChIKeyVJEVQJWQSFTPEL-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.41
Rot. Bonds5

About N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide

N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide (PubChem CID 103110469) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide
PubChem CID103110469
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccc(N)c1C
InChIInChI=1S/C11H18N2O2S/c1-3-7-16(14,15)13-8-10-5-4-6-11(12)9(10)2/h4-6,13H,3,7-8,12H2,1-2H3
InChIKeyVJEVQJWQSFTPEL-UHFFFAOYSA-N
XLogP1.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide
CID 103110484
1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene
CID 103110527
N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 103110630
3-ethyl-2-methylaniline
CID 19879636
N-[(3-amino-2-methylphenyl)methyl]oxane-4-sulfonamide
CID 103110626
3-[(2-ethylsulfonylanilino)methyl]-2-methylaniline
CID 103110760
N-[(3-amino-2-methylphenyl)methyl]-3-bromothiophene-2-sulfonamide
CID 103110455
N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 103110598
N-[(2-aminophenyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82840479
N-[(3-amino-2-methylphenyl)methyl]-4-bromo-2-fluorobenzenesulfonamide
CID 103110634
3-(tert-butylsulfonylmethyl)-2-methylaniline
CID 43509140
4-amino-N-[(2-methylphenyl)methyl]butane-1-sulfonamide
CID 54952252

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide (CID 103110469) is N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cccc(N)c1C.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide?
The InChIKey is VJEVQJWQSFTPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-7-16(14,15)13-8-10-5-4-6-11(12)9(10)2/h4-6,13H,3,7-8,12H2,1-2H3.
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide?
N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 103110469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).