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

C15H26F2N2O2S — CID 166315930

IUPACN-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NC(CO)C1CCC(F)(F)CC1)N1CCSCC1
InChIInChI=1S/C15H26F2N2O2S/c1-11(19-6-8-22-9-7-19)14(21)18-13(10-20)12-2-4-15(16,17)5-3-12/h11-13,20H,2-10H2,1H3,(H,18,21)
InChIKeyCMUKDGFVVGHJGL-UHFFFAOYSA-N
MW336.45 g/mol
LogP1.73
Rot. Bonds5

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

N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide (PubChem CID 166315930) has the molecular formula C15H26F2N2O2S and a molecular weight of 336.45 g/mol. Its IUPAC name is N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide
PubChem CID166315930
Molecular FormulaC15H26F2N2O2S
Molecular Weight336.45 g/mol
Exact Mass336.17
IUPAC NameN-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NC(CO)C1CCC(F)(F)CC1)N1CCSCC1
InChIInChI=1S/C15H26F2N2O2S/c1-11(19-6-8-22-9-7-19)14(21)18-13(10-20)12-2-4-15(16,17)5-3-12/h11-13,20H,2-10H2,1H3,(H,18,21)
InChIKeyCMUKDGFVVGHJGL-UHFFFAOYSA-N
XLogP1.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide (CID 166315930) is N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide is CC(C(=O)NC(CO)C1CCC(F)(F)CC1)N1CCSCC1.
What is the InChIKey of N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide?
The InChIKey is CMUKDGFVVGHJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O2S/c1-11(19-6-8-22-9-7-19)14(21)18-13(10-20)12-2-4-15(16,17)5-3-12/h11-13,20H,2-10H2,1H3,(H,18,21).
What are the key properties of N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide?
N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide has a molecular weight of 336.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 166315930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).