3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol

C12H15NOS — CID 83838493

IUPAC3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol
SMILESOc1ccc2c(c1)CC(NC1CC1)CS2
InChIInChI=1S/C12H15NOS/c14-11-3-4-12-8(6-11)5-10(7-15-12)13-9-1-2-9/h3-4,6,9-10,13-14H,1-2,5,7H2
InChIKeyOOKBRNNGQFYLOK-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.16
Rot. Bonds2

About 3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol

3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol (PubChem CID 83838493) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol.

Molecular Properties

Compound Name3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol
PubChem CID83838493
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol
SMILESOc1ccc2c(c1)CC(NC1CC1)CS2
InChIInChI=1S/C12H15NOS/c14-11-3-4-12-8(6-11)5-10(7-15-12)13-9-1-2-9/h3-4,6,9-10,13-14H,1-2,5,7H2
InChIKeyOOKBRNNGQFYLOK-UHFFFAOYSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol?
The IUPAC name of 3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol (CID 83838493) is 3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol.
What is the SMILES notation for 3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol?
The canonical SMILES for 3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol is Oc1ccc2c(c1)CC(NC1CC1)CS2.
What is the InChIKey of 3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol?
The InChIKey is OOKBRNNGQFYLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c14-11-3-4-12-8(6-11)5-10(7-15-12)13-9-1-2-9/h3-4,6,9-10,13-14H,1-2,5,7H2.
What are the key properties of 3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol?
3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol has a molecular weight of 221.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol is sourced from PubChem (CID 83838493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).