N-(3-methylsulfanylpropyl)oxane-4-carboxamide

C10H19NO2S — CID 175617397

IUPACN-(3-methylsulfanylpropyl)oxane-4-carboxamide
SMILESCSCCCNC(=O)C1CCOCC1
InChIInChI=1S/C10H19NO2S/c1-14-8-2-5-11-10(12)9-3-6-13-7-4-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyNPRQZOHUWXIEAV-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.28
Rot. Bonds5

About N-(3-methylsulfanylpropyl)oxane-4-carboxamide

N-(3-methylsulfanylpropyl)oxane-4-carboxamide (PubChem CID 175617397) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)oxane-4-carboxamide
PubChem CID175617397
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(3-methylsulfanylpropyl)oxane-4-carboxamide
SMILESCSCCCNC(=O)C1CCOCC1
InChIInChI=1S/C10H19NO2S/c1-14-8-2-5-11-10(12)9-3-6-13-7-4-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyNPRQZOHUWXIEAV-UHFFFAOYSA-N
XLogP1.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)oxane-4-carboxamide?
The IUPAC name of N-(3-methylsulfanylpropyl)oxane-4-carboxamide (CID 175617397) is N-(3-methylsulfanylpropyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylpropyl)oxane-4-carboxamide?
The canonical SMILES for N-(3-methylsulfanylpropyl)oxane-4-carboxamide is CSCCCNC(=O)C1CCOCC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)oxane-4-carboxamide?
The InChIKey is NPRQZOHUWXIEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-14-8-2-5-11-10(12)9-3-6-13-7-4-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of N-(3-methylsulfanylpropyl)oxane-4-carboxamide?
N-(3-methylsulfanylpropyl)oxane-4-carboxamide has a molecular weight of 217.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 175617397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).