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

C15H23N3O3S2 — CID 7759445

IUPAC2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H23N3O3S2/c1-2-8-16-14(19)12-22-15-7-6-13(11-17-15)23(20,21)18-9-4-3-5-10-18/h6-7,11H,2-5,8-10,12H2,1H3,(H,16,19)
InChIKeyCBOCBTFRMALFOR-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.87
Rot. Bonds7

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

2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide (PubChem CID 7759445) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide
PubChem CID7759445
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC Name2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H23N3O3S2/c1-2-8-16-14(19)12-22-15-7-6-13(11-17-15)23(20,21)18-9-4-3-5-10-18/h6-7,11H,2-5,8-10,12H2,1H3,(H,16,19)
InChIKeyCBOCBTFRMALFOR-UHFFFAOYSA-N
XLogP1.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.87
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]-N-propylacetamide?
The IUPAC name of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide (CID 7759445) is 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide?
The InChIKey is CBOCBTFRMALFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-2-8-16-14(19)12-22-15-7-6-13(11-17-15)23(20,21)18-9-4-3-5-10-18/h6-7,11H,2-5,8-10,12H2,1H3,(H,16,19).
What are the key properties of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide?
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide has a molecular weight of 357.50 g/mol, XLogP of 1.87, 7 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]-N-propylacetamide is sourced from PubChem (CID 7759445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).