N,N-dimethyl-3-phenylthiophen-2-amine

C12H13NS — CID 11171706

IUPACN,N-dimethyl-3-phenylthiophen-2-amine
SMILESCN(C)c1sccc1-c1ccccc1
InChIInChI=1S/C12H13NS/c1-13(2)12-11(8-9-14-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyLFMYDODVVTYAIA-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.48
Rot. Bonds2

About N,N-dimethyl-3-phenylthiophen-2-amine

N,N-dimethyl-3-phenylthiophen-2-amine (PubChem CID 11171706) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is N,N-dimethyl-3-phenylthiophen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenylthiophen-2-amine
PubChem CID11171706
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC NameN,N-dimethyl-3-phenylthiophen-2-amine
SMILESCN(C)c1sccc1-c1ccccc1
InChIInChI=1S/C12H13NS/c1-13(2)12-11(8-9-14-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyLFMYDODVVTYAIA-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenylthiophen-2-amine?
The IUPAC name of N,N-dimethyl-3-phenylthiophen-2-amine (CID 11171706) is N,N-dimethyl-3-phenylthiophen-2-amine.
What is the SMILES notation for N,N-dimethyl-3-phenylthiophen-2-amine?
The canonical SMILES for N,N-dimethyl-3-phenylthiophen-2-amine is CN(C)c1sccc1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenylthiophen-2-amine?
The InChIKey is LFMYDODVVTYAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-13(2)12-11(8-9-14-12)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-3-phenylthiophen-2-amine?
N,N-dimethyl-3-phenylthiophen-2-amine has a molecular weight of 203.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenylthiophen-2-amine is sourced from PubChem (CID 11171706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).