N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide

C10H14N2O3S — CID 121132255

IUPACN'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
SMILESCNC(=O)C(=O)NCCC(O)c1ccsc1
InChIInChI=1S/C10H14N2O3S/c1-11-9(14)10(15)12-4-2-8(13)7-3-5-16-6-7/h3,5-6,8,13H,2,4H2,1H3,(H,11,14)(H,12,15)
InChIKeyXPWYPSMSPDQUGG-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.03
Rot. Bonds4

About N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide

N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide (PubChem CID 121132255) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide.

Molecular Properties

Compound NameN'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
PubChem CID121132255
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
SMILESCNC(=O)C(=O)NCCC(O)c1ccsc1
InChIInChI=1S/C10H14N2O3S/c1-11-9(14)10(15)12-4-2-8(13)7-3-5-16-6-7/h3,5-6,8,13H,2,4H2,1H3,(H,11,14)(H,12,15)
InChIKeyXPWYPSMSPDQUGG-UHFFFAOYSA-N
XLogP0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 121132268
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 121132289
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99981562
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132300
N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132291
N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 86264161
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 99981653
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132069
1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981744
N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
CID 121132084

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide?
The IUPAC name of N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide (CID 121132255) is N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide.
What is the SMILES notation for N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide?
The canonical SMILES for N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide is CNC(=O)C(=O)NCCC(O)c1ccsc1.
What is the InChIKey of N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide?
The InChIKey is XPWYPSMSPDQUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-11-9(14)10(15)12-4-2-8(13)7-3-5-16-6-7/h3,5-6,8,13H,2,4H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide?
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide has a molecular weight of 242.30 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide is sourced from PubChem (CID 121132255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).