2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide

C10H19NO3S — CID 66127875

IUPAC2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide
SMILESO=C(CSCCCO)NC1CCOCC1
InChIInChI=1S/C10H19NO3S/c12-4-1-7-15-8-10(13)11-9-2-5-14-6-3-9/h9,12H,1-8H2,(H,11,13)
InChIKeyBFCHOUXHMVUYKK-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.40
Rot. Bonds6

About 2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide

2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide (PubChem CID 66127875) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide
PubChem CID66127875
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide
SMILESO=C(CSCCCO)NC1CCOCC1
InChIInChI=1S/C10H19NO3S/c12-4-1-7-15-8-10(13)11-9-2-5-14-6-3-9/h9,12H,1-8H2,(H,11,13)
InChIKeyBFCHOUXHMVUYKK-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide (CID 66127875) is 2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide is O=C(CSCCCO)NC1CCOCC1.
What is the InChIKey of 2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide?
The InChIKey is BFCHOUXHMVUYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-4-1-7-15-8-10(13)11-9-2-5-14-6-3-9/h9,12H,1-8H2,(H,11,13).
What are the key properties of 2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide?
2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide has a molecular weight of 233.33 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 66127875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).