2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide

C10H20N2O2S — CID 66219180

IUPAC2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide
SMILESCC(N)CSCC(=O)NC1CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-8(11)6-15-7-10(13)12-9-2-4-14-5-3-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyGZTFCWDOWAXCMA-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.36
Rot. Bonds5

About 2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide

2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide (PubChem CID 66219180) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide
PubChem CID66219180
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide
SMILESCC(N)CSCC(=O)NC1CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-8(11)6-15-7-10(13)12-9-2-4-14-5-3-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyGZTFCWDOWAXCMA-UHFFFAOYSA-N
XLogP0.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide (CID 66219180) is 2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide is CC(N)CSCC(=O)NC1CCOCC1.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide?
The InChIKey is GZTFCWDOWAXCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8(11)6-15-7-10(13)12-9-2-4-14-5-3-9/h8-9H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide?
2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide has a molecular weight of 232.35 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 66219180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).