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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Related Compounds

6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine
CID 105463194
(4S)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 51885338
(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 51885336
6-methyl-2,3-dihydro-1,4-benzodithiine
CID 11789864
2-(4-hydroxy-7-methyl-2,3-dihydrothiochromen-4-yl)acetic acid
CID 83912379
6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene
CID 173298315
(7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057247
3-amino-6-methyl-2,3-dihydrothiochromen-4-one
CID 5180146
(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)boronic acid
CID 23005446
2'-amino-6-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84719127
3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine
CID 112563918
(1'R,3R)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 124572230

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).