2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide

C18H29N3O3S2 — CID 7759435

IUPAC2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(C)C
InChIInChI=1S/C18H29N3O3S2/c1-14(2)21(15(3)4)18(22)13-25-17-9-8-16(12-19-17)26(23,24)20-10-6-5-7-11-20/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3
InChIKeyPDFHEIVWZDLOCF-UHFFFAOYSA-N
MW399.58 g/mol
LogP2.99
Rot. Bonds7

About 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide

2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 7759435) has the molecular formula C18H29N3O3S2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide
PubChem CID7759435
Molecular FormulaC18H29N3O3S2
Molecular Weight399.58 g/mol
Exact Mass399.17
IUPAC Name2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(C)C
InChIInChI=1S/C18H29N3O3S2/c1-14(2)21(15(3)4)18(22)13-25-17-9-8-16(12-19-17)26(23,24)20-10-6-5-7-11-20/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3
InChIKeyPDFHEIVWZDLOCF-UHFFFAOYSA-N
XLogP2.99
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.99
H-Bond Donors ≤ 50
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,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide (CID 7759435) is 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(C)C.
What is the InChIKey of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is PDFHEIVWZDLOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S2/c1-14(2)21(15(3)4)18(22)13-25-17-9-8-16(12-19-17)26(23,24)20-10-6-5-7-11-20/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3.
What are the key properties of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 399.58 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 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,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 7759435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).