N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide

C9H16F2N2O2S — CID 106176913

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC(F)(F)CO
InChIInChI=1S/C9H16F2N2O2S/c10-9(11,6-14)5-13-8(15)3-7-4-16-2-1-12-7/h7,12,14H,1-6H2,(H,13,15)
InChIKeyQYANGZYESWPSPB-UHFFFAOYSA-N
MW254.30 g/mol
LogP-0.17
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 106176913) has the molecular formula C9H16F2N2O2S and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide
PubChem CID106176913
Molecular FormulaC9H16F2N2O2S
Molecular Weight254.30 g/mol
Exact Mass254.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC(F)(F)CO
InChIInChI=1S/C9H16F2N2O2S/c10-9(11,6-14)5-13-8(15)3-7-4-16-2-1-12-7/h7,12,14H,1-6H2,(H,13,15)
InChIKeyQYANGZYESWPSPB-UHFFFAOYSA-N
XLogP-0.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide 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-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
2-hydroxy-2-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoic acid
CID 66420533
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 114167326
2-ethyl-2-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]butanoic acid
CID 115430291
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 106175845
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-thiomorpholin-3-ylacetamide
CID 114163723
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide (CID 106176913) is N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is QYANGZYESWPSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2S/c10-9(11,6-14)5-13-8(15)3-7-4-16-2-1-12-7/h7,12,14H,1-6H2,(H,13,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 254.30 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 106176913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).