6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine

C11H12ClNO2S — CID 67745062

IUPAC6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine
SMILESCC1=C(N(C)C)S(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C11H12ClNO2S/c1-7-9-5-4-8(12)6-10(9)16(14,15)11(7)13(2)3/h4-6H,1-3H3
InChIKeyRXCCPKOPOSZIPR-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.38
Rot. Bonds1

About 6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine

6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine (PubChem CID 67745062) has the molecular formula C11H12ClNO2S and a molecular weight of 257.74 g/mol. Its IUPAC name is 6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine.

Molecular Properties

Compound Name6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine
PubChem CID67745062
Molecular FormulaC11H12ClNO2S
Molecular Weight257.74 g/mol
Exact Mass257.03
IUPAC Name6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine
SMILESCC1=C(N(C)C)S(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C11H12ClNO2S/c1-7-9-5-4-8(12)6-10(9)16(14,15)11(7)13(2)3/h4-6H,1-3H3
InChIKeyRXCCPKOPOSZIPR-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine?
The IUPAC name of 6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine (CID 67745062) is 6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine.
What is the SMILES notation for 6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine?
The canonical SMILES for 6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine is CC1=C(N(C)C)S(=O)(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine?
The InChIKey is RXCCPKOPOSZIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2S/c1-7-9-5-4-8(12)6-10(9)16(14,15)11(7)13(2)3/h4-6H,1-3H3.
What are the key properties of 6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine?
6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine has a molecular weight of 257.74 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine is sourced from PubChem (CID 67745062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).