6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine

C12H15NS — CID 105458273

IUPAC6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine
SMILESCc1ccc2c(c1)C1(CCS2)CC1N
InChIInChI=1S/C12H15NS/c1-8-2-3-10-9(6-8)12(4-5-14-10)7-11(12)13/h2-3,6,11H,4-5,7,13H2,1H3
InChIKeyBYGXDLCGKQKEKW-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.46
Rot. Bonds

About 6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine

6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine (PubChem CID 105458273) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine
PubChem CID105458273
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine
SMILESCc1ccc2c(c1)C1(CCS2)CC1N
InChIInChI=1S/C12H15NS/c1-8-2-3-10-9(6-8)12(4-5-14-10)7-11(12)13/h2-3,6,11H,4-5,7,13H2,1H3
InChIKeyBYGXDLCGKQKEKW-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine?
The IUPAC name of 6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine (CID 105458273) is 6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine.
What is the SMILES notation for 6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine?
The canonical SMILES for 6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine is Cc1ccc2c(c1)C1(CCS2)CC1N.
What is the InChIKey of 6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine?
The InChIKey is BYGXDLCGKQKEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-8-2-3-10-9(6-8)12(4-5-14-10)7-11(12)13/h2-3,6,11H,4-5,7,13H2,1H3.
What are the key properties of 6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine?
6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine has a molecular weight of 205.33 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 105458273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).