(1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride

C9H10ClNO2S — CID 75496154

IUPAC(1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCC1=CS(=O)(=O)c2ccccc21
InChIInChI=1S/C9H9NO2S.ClH/c10-5-7-6-13(11,12)9-4-2-1-3-8(7)9;/h1-4,6H,5,10H2;1H
InChIKeyIODHAJHGQHJGAD-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.20
Rot. Bonds1

About (1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride

(1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride (PubChem CID 75496154) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is (1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride
PubChem CID75496154
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name(1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCC1=CS(=O)(=O)c2ccccc21
InChIInChI=1S/C9H9NO2S.ClH/c10-5-7-6-13(11,12)9-4-2-1-3-8(7)9;/h1-4,6H,5,10H2;1H
InChIKeyIODHAJHGQHJGAD-UHFFFAOYSA-N
XLogP1.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride 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

4-Methylsulfonylbenzylamine
CID 57421
(2-Methanesulfonylphenyl)methanamine
CID 16218335
1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfonic acid benzylamide
CID 44403268
2-(2-Aminoethyl)benzenesulfonyl fluoride
CID 6710775
4-Aminoethylbenzenesulfonyl fluoride hydrochloride
CID 16667735
1-(4-(Methylsulfonyl)phenyl)propan-2-amine
CID 10890308
(4-Methylsulfonylphenyl)methylazanium;chloride
CID 57420
2-(4-Methanesulfonylphenyl)ethan-1-amine
CID 2760957
1-(4-(Methylsulfonyl)phenyl)ethanamine
CID 2736900
(3-(Methylsulfonyl)phenyl)methanamine
CID 2760937
1-[4-(Ethylsulfonyl)phenyl]methanamine
CID 17966626
(S,E)-5-Phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
CID 10086234

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride?
The IUPAC name of (1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride (CID 75496154) is (1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride is Cl.NCC1=CS(=O)(=O)c2ccccc21.
What is the InChIKey of (1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride?
The InChIKey is IODHAJHGQHJGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S.ClH/c10-5-7-6-13(11,12)9-4-2-1-3-8(7)9;/h1-4,6H,5,10H2;1H.
What are the key properties of (1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride?
(1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1-benzothiophen-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 75496154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).