1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine

C15H22N2O3S — CID 115314920

IUPAC1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C2CCS(=O)(=O)c3ccccc32)CCO1
InChIInChI=1S/C15H22N2O3S/c1-11(16)14-10-17(7-8-20-14)13-6-9-21(18,19)15-5-3-2-4-12(13)15/h2-5,11,13-14H,6-10,16H2,1H3
InChIKeyPNDYNJCCMCDVKA-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.95
Rot. Bonds2

About 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine

1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine (PubChem CID 115314920) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine
PubChem CID115314920
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C2CCS(=O)(=O)c3ccccc32)CCO1
InChIInChI=1S/C15H22N2O3S/c1-11(16)14-10-17(7-8-20-14)13-6-9-21(18,19)15-5-3-2-4-12(13)15/h2-5,11,13-14H,6-10,16H2,1H3
InChIKeyPNDYNJCCMCDVKA-UHFFFAOYSA-N
XLogP0.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine (CID 115314920) is 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine is CC(N)C1CN(C2CCS(=O)(=O)c3ccccc32)CCO1.
What is the InChIKey of 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine?
The InChIKey is PNDYNJCCMCDVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(16)14-10-17(7-8-20-14)13-6-9-21(18,19)15-5-3-2-4-12(13)15/h2-5,11,13-14H,6-10,16H2,1H3.
What are the key properties of 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine?
1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine has a molecular weight of 310.42 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 115314920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).