2-(2-sulfanylpiperidin-3-yl)acetamide

C7H14N2OS — CID 155432004

IUPAC2-(2-sulfanylpiperidin-3-yl)acetamide
SMILESNC(=O)CC1CCCNC1S
InChIInChI=1S/C7H14N2OS/c8-6(10)4-5-2-1-3-9-7(5)11/h5,7,9,11H,1-4H2,(H2,8,10)
InChIKeyOWDFXKRSESNYEP-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.12
Rot. Bonds2

About 2-(2-sulfanylpiperidin-3-yl)acetamide

2-(2-sulfanylpiperidin-3-yl)acetamide (PubChem CID 155432004) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-(2-sulfanylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-sulfanylpiperidin-3-yl)acetamide
PubChem CID155432004
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name2-(2-sulfanylpiperidin-3-yl)acetamide
SMILESNC(=O)CC1CCCNC1S
InChIInChI=1S/C7H14N2OS/c8-6(10)4-5-2-1-3-9-7(5)11/h5,7,9,11H,1-4H2,(H2,8,10)
InChIKeyOWDFXKRSESNYEP-UHFFFAOYSA-N
XLogP0.12
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(2-sulfanylpiperidin-3-yl)acetamide (CID 155432004) is 2-(2-sulfanylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-sulfanylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2-sulfanylpiperidin-3-yl)acetamide is NC(=O)CC1CCCNC1S.
What is the InChIKey of 2-(2-sulfanylpiperidin-3-yl)acetamide?
The InChIKey is OWDFXKRSESNYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c8-6(10)4-5-2-1-3-9-7(5)11/h5,7,9,11H,1-4H2,(H2,8,10).
What are the key properties of 2-(2-sulfanylpiperidin-3-yl)acetamide?
2-(2-sulfanylpiperidin-3-yl)acetamide has a molecular weight of 174.27 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylpiperidin-3-yl)acetamide is sourced from PubChem (CID 155432004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).