2-(3-amino-5-methoxyanilino)ethanesulfonamide

C9H15N3O3S — CID 80730733

IUPAC2-(3-amino-5-methoxyanilino)ethanesulfonamide
SMILESCOc1cc(N)cc(NCCS(N)(=O)=O)c1
InChIInChI=1S/C9H15N3O3S/c1-15-9-5-7(10)4-8(6-9)12-2-3-16(11,13)14/h4-6,12H,2-3,10H2,1H3,(H2,11,13,14)
InChIKeyRRGDCFIYNDXEPN-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.02
Rot. Bonds5

About 2-(3-amino-5-methoxyanilino)ethanesulfonamide

2-(3-amino-5-methoxyanilino)ethanesulfonamide (PubChem CID 80730733) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(3-amino-5-methoxyanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-amino-5-methoxyanilino)ethanesulfonamide
PubChem CID80730733
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-(3-amino-5-methoxyanilino)ethanesulfonamide
SMILESCOc1cc(N)cc(NCCS(N)(=O)=O)c1
InChIInChI=1S/C9H15N3O3S/c1-15-9-5-7(10)4-8(6-9)12-2-3-16(11,13)14/h4-6,12H,2-3,10H2,1H3,(H2,11,13,14)
InChIKeyRRGDCFIYNDXEPN-UHFFFAOYSA-N
XLogP-0.02
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-5-nitroanilino)ethanesulfonamide
CID 80724085
2-(3-amino-5-methoxyanilino)acetamide
CID 80725904
5-methoxy-3-N-(5,5,5-trifluoropentyl)benzene-1,3-diamine
CID 113326788
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide
CID 104532985
3-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methoxybenzene-1,3-diamine
CID 106037597
5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 80739266
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
ethyl 2-(3-amino-5-methoxyanilino)acetate
CID 80730548
2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide
CID 113293136
5-methoxy-3-N-[2-(oxolan-3-yl)ethyl]benzene-1,3-diamine
CID 114129611
2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide
CID 43551672

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methoxyanilino)ethanesulfonamide?
The IUPAC name of 2-(3-amino-5-methoxyanilino)ethanesulfonamide (CID 80730733) is 2-(3-amino-5-methoxyanilino)ethanesulfonamide.
What is the SMILES notation for 2-(3-amino-5-methoxyanilino)ethanesulfonamide?
The canonical SMILES for 2-(3-amino-5-methoxyanilino)ethanesulfonamide is COc1cc(N)cc(NCCS(N)(=O)=O)c1.
What is the InChIKey of 2-(3-amino-5-methoxyanilino)ethanesulfonamide?
The InChIKey is RRGDCFIYNDXEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-15-9-5-7(10)4-8(6-9)12-2-3-16(11,13)14/h4-6,12H,2-3,10H2,1H3,(H2,11,13,14).
What are the key properties of 2-(3-amino-5-methoxyanilino)ethanesulfonamide?
2-(3-amino-5-methoxyanilino)ethanesulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methoxyanilino)ethanesulfonamide is sourced from PubChem (CID 80730733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).