N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

C12H20F2N2O3S — CID 136540557

IUPACN-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESO=C(CN1CCCS1(=O)=O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C12H20F2N2O3S/c13-12(14)4-2-10(3-5-12)8-15-11(17)9-16-6-1-7-20(16,18)19/h10H,1-9H2,(H,15,17)
InChIKeyIOFVZXXKBNHCIC-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.96
Rot. Bonds4

About N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (PubChem CID 136540557) has the molecular formula C12H20F2N2O3S and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
PubChem CID136540557
Molecular FormulaC12H20F2N2O3S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESO=C(CN1CCCS1(=O)=O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C12H20F2N2O3S/c13-12(14)4-2-10(3-5-12)8-15-11(17)9-16-6-1-7-20(16,18)19/h10H,1-9H2,(H,15,17)
InChIKeyIOFVZXXKBNHCIC-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459993
2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide
CID 14668524
N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687634
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120654491
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47284297
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 119348327
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512599
N-[(3,3-difluorocyclopentyl)methyl]propanamide
CID 131084528
N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687638
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide
CID 47235152
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811155
1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol
CID 104550041

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (CID 136540557) is N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is O=C(CN1CCCS1(=O)=O)NCC1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The InChIKey is IOFVZXXKBNHCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O3S/c13-12(14)4-2-10(3-5-12)8-15-11(17)9-16-6-1-7-20(16,18)19/h10H,1-9H2,(H,15,17).
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide has a molecular weight of 310.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is sourced from PubChem (CID 136540557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).