N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine

C13H15NOS — CID 21182735

IUPACN,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine
SMILESC=CCOc1ccc2cc(N(C)C)sc2c1
InChIInChI=1S/C13H15NOS/c1-4-7-15-11-6-5-10-8-13(14(2)3)16-12(10)9-11/h4-6,8-9H,1,7H2,2-3H3
InChIKeyAUMKQIHQCOASRQ-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.53
Rot. Bonds4

About N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine

N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine (PubChem CID 21182735) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine
PubChem CID21182735
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC NameN,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine
SMILESC=CCOc1ccc2cc(N(C)C)sc2c1
InChIInChI=1S/C13H15NOS/c1-4-7-15-11-6-5-10-8-13(14(2)3)16-12(10)9-11/h4-6,8-9H,1,7H2,2-3H3
InChIKeyAUMKQIHQCOASRQ-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine?
The IUPAC name of N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine (CID 21182735) is N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine.
What is the SMILES notation for N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine?
The canonical SMILES for N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine is C=CCOc1ccc2cc(N(C)C)sc2c1.
What is the InChIKey of N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine?
The InChIKey is AUMKQIHQCOASRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-4-7-15-11-6-5-10-8-13(14(2)3)16-12(10)9-11/h4-6,8-9H,1,7H2,2-3H3.
What are the key properties of N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine?
N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-prop-2-enoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 21182735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).