N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine

C12H17NS — CID 112716172

IUPACN,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine
SMILESCNC1c2sc(C)cc2CCC12CC2
InChIInChI=1S/C12H17NS/c1-8-7-9-3-4-12(5-6-12)11(13-2)10(9)14-8/h7,11,13H,3-6H2,1-2H3
InChIKeyYVLPGEKMRYPEPT-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.04
Rot. Bonds1

About N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine

N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine (PubChem CID 112716172) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine.

Molecular Properties

Compound NameN,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine
PubChem CID112716172
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine
SMILESCNC1c2sc(C)cc2CCC12CC2
InChIInChI=1S/C12H17NS/c1-8-7-9-3-4-12(5-6-12)11(13-2)10(9)14-8/h7,11,13H,3-6H2,1-2H3
InChIKeyYVLPGEKMRYPEPT-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine?
The IUPAC name of N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine (CID 112716172) is N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine.
What is the SMILES notation for N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine?
The canonical SMILES for N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine is CNC1c2sc(C)cc2CCC12CC2.
What is the InChIKey of N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine?
The InChIKey is YVLPGEKMRYPEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-8-7-9-3-4-12(5-6-12)11(13-2)10(9)14-8/h7,11,13H,3-6H2,1-2H3.
What are the key properties of N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine?
N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine has a molecular weight of 207.34 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylspiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclopropane]-7-amine is sourced from PubChem (CID 112716172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).