2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide

C10H18F2N2OS — CID 107479929

IUPAC2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(CN(CCO)CC(F)F)CC1
InChIInChI=1S/C10H18F2N2OS/c11-8(12)6-14(3-4-15)7-10(1-2-10)5-9(13)16/h8,15H,1-7H2,(H2,13,16)
InChIKeyNDWAORGKJFZPFT-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.00
Rot. Bonds8

About 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 107479929) has the molecular formula C10H18F2N2OS and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID107479929
Molecular FormulaC10H18F2N2OS
Molecular Weight252.33 g/mol
Exact Mass252.11
IUPAC Name2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(CN(CCO)CC(F)F)CC1
InChIInChI=1S/C10H18F2N2OS/c11-8(12)6-14(3-4-15)7-10(1-2-10)5-9(13)16/h8,15H,1-7H2,(H2,13,16)
InChIKeyNDWAORGKJFZPFT-UHFFFAOYSA-N
XLogP1.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide (CID 107479929) is 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide is NC(=S)CC1(CN(CCO)CC(F)F)CC1.
What is the InChIKey of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is NDWAORGKJFZPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2OS/c11-8(12)6-14(3-4-15)7-10(1-2-10)5-9(13)16/h8,15H,1-7H2,(H2,13,16).
What are the key properties of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 252.33 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 107479929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).