[3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine

C12H15NS — CID 105458271

IUPAC[3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine
SMILESNCc1cccc(C2=CCSCC2)c1
InChIInChI=1S/C12H15NS/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11/h1-4,8H,5-7,9,13H2
InChIKeyAPZLQQGYLRQSMA-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.67
Rot. Bonds2

About [3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine

[3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine (PubChem CID 105458271) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is [3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine
PubChem CID105458271
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name[3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine
SMILESNCc1cccc(C2=CCSCC2)c1
InChIInChI=1S/C12H15NS/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11/h1-4,8H,5-7,9,13H2
InChIKeyAPZLQQGYLRQSMA-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(cyclohexen-1-yl)phenyl]ethanamine
CID 115022403
[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
CID 61032630
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine
CID 143064317
[3-[6-[3-(aminomethyl)phenyl]-9H-fluoren-3-yl]phenyl]methanamine
CID 158799416
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
[3-(3H-inden-1-yl)phenyl]methanamine
CID 174763400
[3-(5-methylthiophen-3-yl)phenyl]methanamine
CID 65100908
1-(cyclopenten-1-yl)-3-ethylbenzene
CID 150038246
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121

Frequently Asked Questions

What is the IUPAC name of [3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine?
The IUPAC name of [3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine (CID 105458271) is [3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine?
The canonical SMILES for [3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine is NCc1cccc(C2=CCSCC2)c1.
What is the InChIKey of [3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine?
The InChIKey is APZLQQGYLRQSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11/h1-4,8H,5-7,9,13H2.
What are the key properties of [3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine?
[3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine has a molecular weight of 205.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine is sourced from PubChem (CID 105458271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).