5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione

C14H22N3O3S2+ — CID 9193168

IUPAC5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione
SMILESO=S(=O)(c1ccc(=S)n(C[NH+]2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C14H21N3O3S2/c18-22(19,17-7-9-20-10-8-17)13-3-4-14(21)16(11-13)12-15-5-1-2-6-15/h3-4,11H,1-2,5-10,12H2/p+1
InChIKeyZPZUIYNNHCABDO-UHFFFAOYSA-O
MW344.48 g/mol
LogP-0.13
Rot. Bonds4

About 5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione

5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione (PubChem CID 9193168) has the molecular formula C14H22N3O3S2+ and a molecular weight of 344.48 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione
PubChem CID9193168
Molecular FormulaC14H22N3O3S2+
Molecular Weight344.48 g/mol
Exact Mass344.11
IUPAC Name5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione
SMILESO=S(=O)(c1ccc(=S)n(C[NH+]2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C14H21N3O3S2/c18-22(19,17-7-9-20-10-8-17)13-3-4-14(21)16(11-13)12-15-5-1-2-6-15/h3-4,11H,1-2,5-10,12H2/p+1
InChIKeyZPZUIYNNHCABDO-UHFFFAOYSA-O
XLogP-0.13
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-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

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-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione
CID 9193149
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
1-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione
CID 9279985
1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170592
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170598
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 9050303
2,7-bis(1,4-oxazepan-4-ylsulfonyl)anthracene-9,10-dione
CID 46851999

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione?
The IUPAC name of 5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione (CID 9193168) is 5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione is O=S(=O)(c1ccc(=S)n(C[NH+]2CCCC2)c1)N1CCOCC1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione?
The InChIKey is ZPZUIYNNHCABDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O3S2/c18-22(19,17-7-9-20-10-8-17)13-3-4-14(21)16(11-13)12-15-5-1-2-6-15/h3-4,11H,1-2,5-10,12H2/p+1.
What are the key properties of 5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione?
5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione has a molecular weight of 344.48 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyridine-2-thione is sourced from PubChem (CID 9193168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).