2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C11H15N3O4S2 — CID 7774835

IUPAC2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESNC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C11H15N3O4S2/c12-10(15)8-19-11-2-1-9(7-13-11)20(16,17)14-3-5-18-6-4-14/h1-2,7H,3-6,8H2,(H2,12,15)
InChIKeyHYDMRRRCBXTPSB-UHFFFAOYSA-N
MW317.39 g/mol
LogP-0.32
Rot. Bonds5

About 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 7774835) has the molecular formula C11H15N3O4S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID7774835
Molecular FormulaC11H15N3O4S2
Molecular Weight317.39 g/mol
Exact Mass317.05
IUPAC Name2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESNC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C11H15N3O4S2/c12-10(15)8-19-11-2-1-9(7-13-11)20(16,17)14-3-5-18-6-4-14/h1-2,7H,3-6,8H2,(H2,12,15)
InChIKeyHYDMRRRCBXTPSB-UHFFFAOYSA-N
XLogP-0.32
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 7774835) is 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is HYDMRRRCBXTPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S2/c12-10(15)8-19-11-2-1-9(7-13-11)20(16,17)14-3-5-18-6-4-14/h1-2,7H,3-6,8H2,(H2,12,15).
What are the key properties of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 7774835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).