(2-methylthiophen-3-yl)sulfamic acid

C5H7NO3S2 — CID 21281829

IUPAC(2-methylthiophen-3-yl)sulfamic acid
SMILESCc1sccc1NS(=O)(=O)O
InChIInChI=1S/C5H7NO3S2/c1-4-5(2-3-10-4)6-11(7,8)9/h2-3,6H,1H3,(H,7,8,9)
InChIKeyJBDPEMLJUPSDLP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.27
Rot. Bonds2

About (2-methylthiophen-3-yl)sulfamic acid

(2-methylthiophen-3-yl)sulfamic acid (PubChem CID 21281829) has the molecular formula C5H7NO3S2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)sulfamic acid.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)sulfamic acid
PubChem CID21281829
Molecular FormulaC5H7NO3S2
Molecular Weight193.25 g/mol
Exact Mass192.99
IUPAC Name(2-methylthiophen-3-yl)sulfamic acid
SMILESCc1sccc1NS(=O)(=O)O
InChIInChI=1S/C5H7NO3S2/c1-4-5(2-3-10-4)6-11(7,8)9/h2-3,6H,1H3,(H,7,8,9)
InChIKeyJBDPEMLJUPSDLP-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (2-methylthiophen-3-yl)sulfamic acid 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

(2-methylthiophen-3-yl)hydrazine;hydrochloride
CID 67855858
(2-methylphenyl)sulfamic acid;hydrochloride
CID 174841873
2-methyl-N-propylthiophen-3-amine
CID 90965556
(2-methoxy-4-methylphenyl)sulfamic acid
CID 57354125
N'-(2-methylthiophen-3-yl)ethane-1,2-diamine
CID 102837200
2-methylthiophene-3-sulfonyl fluoride
CID 157377683
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
2-chloro-N-(methylsulfamoyl)thiophen-3-amine
CID 71126557
bis(2-methylthiophen-3-yl)methanone
CID 101441488
3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine
CID 135292661
5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol
CID 141309505

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)sulfamic acid?
The IUPAC name of (2-methylthiophen-3-yl)sulfamic acid (CID 21281829) is (2-methylthiophen-3-yl)sulfamic acid.
What is the SMILES notation for (2-methylthiophen-3-yl)sulfamic acid?
The canonical SMILES for (2-methylthiophen-3-yl)sulfamic acid is Cc1sccc1NS(=O)(=O)O.
What is the InChIKey of (2-methylthiophen-3-yl)sulfamic acid?
The InChIKey is JBDPEMLJUPSDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S2/c1-4-5(2-3-10-4)6-11(7,8)9/h2-3,6H,1H3,(H,7,8,9).
What are the key properties of (2-methylthiophen-3-yl)sulfamic acid?
(2-methylthiophen-3-yl)sulfamic acid has a molecular weight of 193.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)sulfamic acid is sourced from PubChem (CID 21281829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).