N,N,3-trimethyl-1-benzothiophen-4-amine

C11H13NS — CID 19982473

IUPACN,N,3-trimethyl-1-benzothiophen-4-amine
SMILESCc1csc2cccc(N(C)C)c12
InChIInChI=1S/C11H13NS/c1-8-7-13-10-6-4-5-9(11(8)10)12(2)3/h4-7H,1-3H3
InChIKeyWUUHISRYGRBJDA-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.28
Rot. Bonds1

About N,N,3-trimethyl-1-benzothiophen-4-amine

N,N,3-trimethyl-1-benzothiophen-4-amine (PubChem CID 19982473) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is N,N,3-trimethyl-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-benzothiophen-4-amine
PubChem CID19982473
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC NameN,N,3-trimethyl-1-benzothiophen-4-amine
SMILESCc1csc2cccc(N(C)C)c12
InChIInChI=1S/C11H13NS/c1-8-7-13-10-6-4-5-9(11(8)10)12(2)3/h4-7H,1-3H3
InChIKeyWUUHISRYGRBJDA-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-benzothiophen-4-amine?
The IUPAC name of N,N,3-trimethyl-1-benzothiophen-4-amine (CID 19982473) is N,N,3-trimethyl-1-benzothiophen-4-amine.
What is the SMILES notation for N,N,3-trimethyl-1-benzothiophen-4-amine?
The canonical SMILES for N,N,3-trimethyl-1-benzothiophen-4-amine is Cc1csc2cccc(N(C)C)c12.
What is the InChIKey of N,N,3-trimethyl-1-benzothiophen-4-amine?
The InChIKey is WUUHISRYGRBJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8-7-13-10-6-4-5-9(11(8)10)12(2)3/h4-7H,1-3H3.
What are the key properties of N,N,3-trimethyl-1-benzothiophen-4-amine?
N,N,3-trimethyl-1-benzothiophen-4-amine has a molecular weight of 191.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-benzothiophen-4-amine is sourced from PubChem (CID 19982473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).