N-methyl-1-benzothiophen-2-amine

C9H9NS — CID 18186472

IUPACN-methyl-1-benzothiophen-2-amine
SMILESCNc1cc2ccccc2s1
InChIInChI=1S/C9H9NS/c1-10-9-6-7-4-2-3-5-8(7)11-9/h2-6,10H,1H3
InChIKeyVOTRSJZDUJWNGN-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.94
Rot. Bonds1

About N-methyl-1-benzothiophen-2-amine

N-methyl-1-benzothiophen-2-amine (PubChem CID 18186472) has the molecular formula C9H9NS and a molecular weight of 163.24 g/mol. Its IUPAC name is N-methyl-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN-methyl-1-benzothiophen-2-amine
PubChem CID18186472
Molecular FormulaC9H9NS
Molecular Weight163.24 g/mol
Exact Mass163.05
IUPAC NameN-methyl-1-benzothiophen-2-amine
SMILESCNc1cc2ccccc2s1
InChIInChI=1S/C9H9NS/c1-10-9-6-7-4-2-3-5-8(7)11-9/h2-6,10H,1H3
InChIKeyVOTRSJZDUJWNGN-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-benzothiophen-2-amine?
The IUPAC name of N-methyl-1-benzothiophen-2-amine (CID 18186472) is N-methyl-1-benzothiophen-2-amine.
What is the SMILES notation for N-methyl-1-benzothiophen-2-amine?
The canonical SMILES for N-methyl-1-benzothiophen-2-amine is CNc1cc2ccccc2s1.
What is the InChIKey of N-methyl-1-benzothiophen-2-amine?
The InChIKey is VOTRSJZDUJWNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-10-9-6-7-4-2-3-5-8(7)11-9/h2-6,10H,1H3.
What are the key properties of N-methyl-1-benzothiophen-2-amine?
N-methyl-1-benzothiophen-2-amine has a molecular weight of 163.24 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-benzothiophen-2-amine is sourced from PubChem (CID 18186472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).