methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate

C15H21N3O5S2 — CID 7561709

IUPACmethyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H21N3O5S2/c1-23-15(20)10-16-13(19)11-24-14-6-5-12(9-17-14)25(21,22)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,19)
InChIKeyWXMRWYIBTSJHNP-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.64
Rot. Bonds7

About methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate

methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate (PubChem CID 7561709) has the molecular formula C15H21N3O5S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate
PubChem CID7561709
Molecular FormulaC15H21N3O5S2
Molecular Weight387.48 g/mol
Exact Mass387.09
IUPAC Namemethyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H21N3O5S2/c1-23-15(20)10-16-13(19)11-24-14-6-5-12(9-17-14)25(21,22)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,19)
InChIKeyWXMRWYIBTSJHNP-UHFFFAOYSA-N
XLogP0.64
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 41481598
N-(4-methoxyphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7759366
N-carbamoyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7561697
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 24580143
N-[(2R)-butan-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779648
N-[(2R)-pentan-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779660
N-cyclopentyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779585
N-(2,6-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117219
N-(4-chlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117204
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7593941
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30117066
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide
CID 24580145

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate (CID 7561709) is methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate is COC(=O)CNC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate?
The InChIKey is WXMRWYIBTSJHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S2/c1-23-15(20)10-16-13(19)11-24-14-6-5-12(9-17-14)25(21,22)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,19).
What are the key properties of methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate?
methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate has a molecular weight of 387.48 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate is sourced from PubChem (CID 7561709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).