4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine

C10H16N2S — CID 126490185

IUPAC4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(N2CCSCC2)=CC1
InChIInChI=1S/C10H16N2S/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1,3-4,9H,2,5-8,11H2
InChIKeyFPUXTRCVAUMXCS-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.21
Rot. Bonds1

About 4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine

4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine (PubChem CID 126490185) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine
PubChem CID126490185
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(N2CCSCC2)=CC1
InChIInChI=1S/C10H16N2S/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1,3-4,9H,2,5-8,11H2
InChIKeyFPUXTRCVAUMXCS-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine (CID 126490185) is 4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine is NC1C=CC(N2CCSCC2)=CC1.
What is the InChIKey of 4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is FPUXTRCVAUMXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1,3-4,9H,2,5-8,11H2.
What are the key properties of 4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine?
4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 196.32 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 126490185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).