N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide

C15H26F2N2OS — CID 166241223

IUPACN-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide
SMILESCC(NC(=O)C(C)N1CCSCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H26F2N2OS/c1-11(13-3-5-15(16,17)6-4-13)18-14(20)12(2)19-7-9-21-10-8-19/h11-13H,3-10H2,1-2H3,(H,18,20)
InChIKeyFASGVPWHBMGXDR-UHFFFAOYSA-N
MW320.45 g/mol
LogP2.75
Rot. Bonds4

About N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide

N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide (PubChem CID 166241223) has the molecular formula C15H26F2N2OS and a molecular weight of 320.45 g/mol. Its IUPAC name is N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide
PubChem CID166241223
Molecular FormulaC15H26F2N2OS
Molecular Weight320.45 g/mol
Exact Mass320.17
IUPAC NameN-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide
SMILESCC(NC(=O)C(C)N1CCSCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H26F2N2OS/c1-11(13-3-5-15(16,17)6-4-13)18-14(20)12(2)19-7-9-21-10-8-19/h11-13H,3-10H2,1-2H3,(H,18,20)
InChIKeyFASGVPWHBMGXDR-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide (CID 166241223) is N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide is CC(NC(=O)C(C)N1CCSCC1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide?
The InChIKey is FASGVPWHBMGXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2OS/c1-11(13-3-5-15(16,17)6-4-13)18-14(20)12(2)19-7-9-21-10-8-19/h11-13H,3-10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide?
N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide has a molecular weight of 320.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 166241223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).