N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide

C10H16F2N2O3S — CID 136531517

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide
SMILESCC1C(C(=O)NCCN2CCCS2(=O)=O)C1(F)F
InChIInChI=1S/C10H16F2N2O3S/c1-7-8(10(7,11)12)9(15)13-3-5-14-4-2-6-18(14,16)17/h7-8H,2-6H2,1H3,(H,13,15)
InChIKeyKCJCQMABWRCDBV-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.04
Rot. Bonds4

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide (PubChem CID 136531517) has the molecular formula C10H16F2N2O3S and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide
PubChem CID136531517
Molecular FormulaC10H16F2N2O3S
Molecular Weight282.31 g/mol
Exact Mass282.08
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide
SMILESCC1C(C(=O)NCCN2CCCS2(=O)=O)C1(F)F
InChIInChI=1S/C10H16F2N2O3S/c1-7-8(10(7,11)12)9(15)13-3-5-14-4-2-6-18(14,16)17/h7-8H,2-6H2,1H3,(H,13,15)
InChIKeyKCJCQMABWRCDBV-UHFFFAOYSA-N
XLogP0.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide (CID 136531517) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide is CC1C(C(=O)NCCN2CCCS2(=O)=O)C1(F)F.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
The InChIKey is KCJCQMABWRCDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3S/c1-7-8(10(7,11)12)9(15)13-3-5-14-4-2-6-18(14,16)17/h7-8H,2-6H2,1H3,(H,13,15).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 136531517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).