2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C12H17N3O3S2 — CID 7759315

IUPAC2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESNC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C12H17N3O3S2/c13-11(16)9-19-12-5-4-10(8-14-12)20(17,18)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H2,13,16)
InChIKeyBIGPZNAEIGTYAW-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.83
Rot. Bonds5

About 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 7759315) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID7759315
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESNC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C12H17N3O3S2/c13-11(16)9-19-12-5-4-10(8-14-12)20(17,18)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H2,13,16)
InChIKeyBIGPZNAEIGTYAW-UHFFFAOYSA-N
XLogP0.83
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 7759315) is 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is BIGPZNAEIGTYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c13-11(16)9-19-12-5-4-10(8-14-12)20(17,18)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H2,13,16).
What are the key properties of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 7759315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).