N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide

C15H26F2N2OS — CID 166245621

IUPACN-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NC(C(F)F)C1CCCCC1)N1CCSCC1
InChIInChI=1S/C15H26F2N2OS/c1-11(19-7-9-21-10-8-19)15(20)18-13(14(16)17)12-5-3-2-4-6-12/h11-14H,2-10H2,1H3,(H,18,20)
InChIKeyZIZFAXNYOKPLIC-UHFFFAOYSA-N
MW320.45 g/mol
LogP2.75
Rot. Bonds5

About N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide

N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide (PubChem CID 166245621) has the molecular formula C15H26F2N2OS and a molecular weight of 320.45 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide
PubChem CID166245621
Molecular FormulaC15H26F2N2OS
Molecular Weight320.45 g/mol
Exact Mass320.17
IUPAC NameN-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NC(C(F)F)C1CCCCC1)N1CCSCC1
InChIInChI=1S/C15H26F2N2OS/c1-11(19-7-9-21-10-8-19)15(20)18-13(14(16)17)12-5-3-2-4-6-12/h11-14H,2-10H2,1H3,(H,18,20)
InChIKeyZIZFAXNYOKPLIC-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 71923888
2-(1-thia-4-azaspiro[5.5]undecan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71976339
N-propan-2-yl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 72103318
N-[(2R)-3-(3-aminopropylsulfanyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 70085462
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61177899
(2S)-2-amino-4-methylsulfanyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 61179917
(2S)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 61180467
1-Piperidin-1-yl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-one
CID 64753664
1-Piperidin-1-yl-2-[[2-(trifluoromethyl)cyclohexyl]amino]propan-1-one
CID 64758075
1-Piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one
CID 64760014
N-[3-(trifluoromethyl)cyclohexyl]thiomorpholine-3-carboxamide
CID 82908518
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 82908631

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide (CID 166245621) is N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide is CC(C(=O)NC(C(F)F)C1CCCCC1)N1CCSCC1.
What is the InChIKey of N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide?
The InChIKey is ZIZFAXNYOKPLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2OS/c1-11(19-7-9-21-10-8-19)15(20)18-13(14(16)17)12-5-3-2-4-6-12/h11-14H,2-10H2,1H3,(H,18,20).
What are the key properties of N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide?
N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide has a molecular weight of 320.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 166245621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).