N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride

C9H12ClNO2S — CID 71756980

IUPACN-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride
SMILESCNC1CS(=O)(=O)c2ccccc21.Cl
InChIInChI=1S/C9H11NO2S.ClH/c1-10-8-6-13(11,12)9-5-3-2-4-7(8)9;/h2-5,8,10H,6H2,1H3;1H
InChIKeySRZWKVDNYWIQBN-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.16
Rot. Bonds1

About N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride

N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride (PubChem CID 71756980) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride
PubChem CID71756980
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC NameN-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride
SMILESCNC1CS(=O)(=O)c2ccccc21.Cl
InChIInChI=1S/C9H11NO2S.ClH/c1-10-8-6-13(11,12)9-5-3-2-4-7(8)9;/h2-5,8,10H,6H2,1H3;1H
InChIKeySRZWKVDNYWIQBN-UHFFFAOYSA-N
XLogP1.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride?
The IUPAC name of N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride (CID 71756980) is N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride is CNC1CS(=O)(=O)c2ccccc21.Cl.
What is the InChIKey of N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride?
The InChIKey is SRZWKVDNYWIQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S.ClH/c1-10-8-6-13(11,12)9-5-3-2-4-7(8)9;/h2-5,8,10H,6H2,1H3;1H.
What are the key properties of N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride?
N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride has a molecular weight of 233.72 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride is sourced from PubChem (CID 71756980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).