N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide

C10H17N3O2S — CID 14618649

IUPACN-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide
SMILESCc1cc(NCCNS(C)(=O)=O)ccc1N
InChIInChI=1S/C10H17N3O2S/c1-8-7-9(3-4-10(8)11)12-5-6-13-16(2,14)15/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyHZLWFIJOVZGQGO-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.54
Rot. Bonds5

About N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide

N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide (PubChem CID 14618649) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide
PubChem CID14618649
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide
SMILESCc1cc(NCCNS(C)(=O)=O)ccc1N
InChIInChI=1S/C10H17N3O2S/c1-8-7-9(3-4-10(8)11)12-5-6-13-16(2,14)15/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyHZLWFIJOVZGQGO-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide (CID 14618649) is N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide is Cc1cc(NCCNS(C)(=O)=O)ccc1N.
What is the InChIKey of N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide?
The InChIKey is HZLWFIJOVZGQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-7-9(3-4-10(8)11)12-5-6-13-16(2,14)15/h3-4,7,12-13H,5-6,11H2,1-2H3.
What are the key properties of N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide?
N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide is sourced from PubChem (CID 14618649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).