2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide

C12H23N3O4S — CID 47378674

IUPAC2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide
SMILESCCCS(=O)(=O)CC(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H23N3O4S/c1-2-7-20(18,19)9-12(17)14-10-3-5-15(6-4-10)8-11(13)16/h10H,2-9H2,1H3,(H2,13,16)(H,14,17)
InChIKeyRNNLNLMUAKQNGV-UHFFFAOYSA-N
MW305.40 g/mol
LogP-1.12
Rot. Bonds7

About 2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide

2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide (PubChem CID 47378674) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide
PubChem CID47378674
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide
SMILESCCCS(=O)(=O)CC(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H23N3O4S/c1-2-7-20(18,19)9-12(17)14-10-3-5-15(6-4-10)8-11(13)16/h10H,2-9H2,1H3,(H2,13,16)(H,14,17)
InChIKeyRNNLNLMUAKQNGV-UHFFFAOYSA-N
XLogP-1.12
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide (CID 47378674) is 2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide is CCCS(=O)(=O)CC(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide?
The InChIKey is RNNLNLMUAKQNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-2-7-20(18,19)9-12(17)14-10-3-5-15(6-4-10)8-11(13)16/h10H,2-9H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide?
2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide has a molecular weight of 305.40 g/mol, XLogP of -1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propylsulfonylacetyl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 47378674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).