1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione

C17H27N3O3S2 — CID 9193149

IUPAC1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione
SMILESCC[C@H]1CCCCN1Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=S
InChIInChI=1S/C17H27N3O3S2/c1-2-15-5-3-4-8-18(15)14-19-13-16(6-7-17(19)24)25(21,22)20-9-11-23-12-10-20/h6-7,13,15H,2-5,8-12,14H2,1H3/t15-/m0/s1
InChIKeyIMSYXHYMQJKKFC-HNNXBMFYSA-N
MW385.56 g/mol
LogP2.46
Rot. Bonds5

About 1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione

1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione (PubChem CID 9193149) has the molecular formula C17H27N3O3S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione.

Molecular Properties

Compound Name1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione
PubChem CID9193149
Molecular FormulaC17H27N3O3S2
Molecular Weight385.56 g/mol
Exact Mass385.15
IUPAC Name1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione
SMILESCC[C@H]1CCCCN1Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=S
InChIInChI=1S/C17H27N3O3S2/c1-2-15-5-3-4-8-18(15)14-19-13-16(6-7-17(19)24)25(21,22)20-9-11-23-12-10-20/h6-7,13,15H,2-5,8-12,14H2,1H3/t15-/m0/s1
InChIKeyIMSYXHYMQJKKFC-HNNXBMFYSA-N
XLogP2.46
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione 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

5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione
CID 9193168
1-[[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione
CID 11938491
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholin-4-ylsulfonylpyridine-2-thione
CID 9183743
benzyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1-pyridinyl)methyl]azanium
CID 9184497
2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 25490815
1-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione
CID 9279985
4-[(2R)-2-ethylpiperidin-1-yl]sulfonylmorpholine
CID 94018182
[1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988531
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-ethylpiperidin-1-yl)ethanone
CID 46614012
1-[[(2R)-1-benzylpiperidin-2-yl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 95248817
1-(2-ethylpiperidin-1-yl)-2-[[4-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 3185028
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione?
The IUPAC name of 1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione (CID 9193149) is 1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione.
What is the SMILES notation for 1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione?
The canonical SMILES for 1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione is CC[C@H]1CCCCN1Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=S.
What is the InChIKey of 1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione?
The InChIKey is IMSYXHYMQJKKFC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O3S2/c1-2-15-5-3-4-8-18(15)14-19-13-16(6-7-17(19)24)25(21,22)20-9-11-23-12-10-20/h6-7,13,15H,2-5,8-12,14H2,1H3/t15-/m0/s1.
What are the key properties of 1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione?
1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione has a molecular weight of 385.56 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione is sourced from PubChem (CID 9193149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).