N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C17H27N3O3S2 — CID 7759432

IUPACN-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESCCC(CC)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H27N3O3S2/c1-3-14(4-2)19-16(21)13-24-17-9-8-15(12-18-17)25(22,23)20-10-6-5-7-11-20/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H,19,21)
InChIKeyISPAWYHNPRFLBN-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.65
Rot. Bonds8

About N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 7759432) has the molecular formula C17H27N3O3S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID7759432
Molecular FormulaC17H27N3O3S2
Molecular Weight385.56 g/mol
Exact Mass385.15
IUPAC NameN-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESCCC(CC)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H27N3O3S2/c1-3-14(4-2)19-16(21)13-24-17-9-8-15(12-18-17)25(22,23)20-10-6-5-7-11-20/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H,19,21)
InChIKeyISPAWYHNPRFLBN-UHFFFAOYSA-N
XLogP2.65
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 7759432) is N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is CCC(CC)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is ISPAWYHNPRFLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S2/c1-3-14(4-2)19-16(21)13-24-17-9-8-15(12-18-17)25(22,23)20-10-6-5-7-11-20/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 385.56 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 7759432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).