3-methylsulfanyl-2-morpholin-2-ylpropanamide

C8H16N2O2S — CID 174486394

IUPAC3-methylsulfanyl-2-morpholin-2-ylpropanamide
SMILESCSCC(C(N)=O)C1CNCCO1
InChIInChI=1S/C8H16N2O2S/c1-13-5-6(8(9)11)7-4-10-2-3-12-7/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyFEZHPBLUDBDLJI-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.56
Rot. Bonds4

About 3-methylsulfanyl-2-morpholin-2-ylpropanamide

3-methylsulfanyl-2-morpholin-2-ylpropanamide (PubChem CID 174486394) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 3-methylsulfanyl-2-morpholin-2-ylpropanamide.

Molecular Properties

Compound Name3-methylsulfanyl-2-morpholin-2-ylpropanamide
PubChem CID174486394
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name3-methylsulfanyl-2-morpholin-2-ylpropanamide
SMILESCSCC(C(N)=O)C1CNCCO1
InChIInChI=1S/C8H16N2O2S/c1-13-5-6(8(9)11)7-4-10-2-3-12-7/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyFEZHPBLUDBDLJI-UHFFFAOYSA-N
XLogP-0.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2-morpholin-2-ylpropanamide?
The IUPAC name of 3-methylsulfanyl-2-morpholin-2-ylpropanamide (CID 174486394) is 3-methylsulfanyl-2-morpholin-2-ylpropanamide.
What is the SMILES notation for 3-methylsulfanyl-2-morpholin-2-ylpropanamide?
The canonical SMILES for 3-methylsulfanyl-2-morpholin-2-ylpropanamide is CSCC(C(N)=O)C1CNCCO1.
What is the InChIKey of 3-methylsulfanyl-2-morpholin-2-ylpropanamide?
The InChIKey is FEZHPBLUDBDLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-13-5-6(8(9)11)7-4-10-2-3-12-7/h6-7,10H,2-5H2,1H3,(H2,9,11).
What are the key properties of 3-methylsulfanyl-2-morpholin-2-ylpropanamide?
3-methylsulfanyl-2-morpholin-2-ylpropanamide has a molecular weight of 204.29 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2-morpholin-2-ylpropanamide is sourced from PubChem (CID 174486394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).