2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide

C12H23N3O2S — CID 114626630

IUPAC2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)C(=O)CSC1CCNCC1
InChIInChI=1S/C12H23N3O2S/c1-9(2)15(7-11(13)16)12(17)8-18-10-3-5-14-6-4-10/h9-10,14H,3-8H2,1-2H3,(H2,13,16)
InChIKeyLNQJZSOUHAVJRV-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.19
Rot. Bonds6

About 2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide

2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide (PubChem CID 114626630) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide
PubChem CID114626630
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)C(=O)CSC1CCNCC1
InChIInChI=1S/C12H23N3O2S/c1-9(2)15(7-11(13)16)12(17)8-18-10-3-5-14-6-4-10/h9-10,14H,3-8H2,1-2H3,(H2,13,16)
InChIKeyLNQJZSOUHAVJRV-UHFFFAOYSA-N
XLogP0.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide (CID 114626630) is 2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)C(=O)CSC1CCNCC1.
What is the InChIKey of 2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide?
The InChIKey is LNQJZSOUHAVJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-9(2)15(7-11(13)16)12(17)8-18-10-3-5-14-6-4-10/h9-10,14H,3-8H2,1-2H3,(H2,13,16).
What are the key properties of 2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide?
2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide has a molecular weight of 273.40 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 114626630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).