[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

C13H20N4O3S2 — CID 95177278

IUPAC[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCSCC2)cn1
InChIInChI=1S/C13H20N4O3S2/c1-15-10-11(9-14-15)22(19,20)17-4-2-3-12(17)13(18)16-5-7-21-8-6-16/h9-10,12H,2-8H2,1H3/t12-/m0/s1
InChIKeyVDJYTXNMZRTNBO-LBPRGKRZSA-N
MW344.46 g/mol
LogP0.15
Rot. Bonds3

About [(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 95177278) has the molecular formula C13H20N4O3S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID95177278
Molecular FormulaC13H20N4O3S2
Molecular Weight344.46 g/mol
Exact Mass344.10
IUPAC Name[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCSCC2)cn1
InChIInChI=1S/C13H20N4O3S2/c1-15-10-11(9-14-15)22(19,20)17-4-2-3-12(17)13(18)16-5-7-21-8-6-16/h9-10,12H,2-8H2,1H3/t12-/m0/s1
InChIKeyVDJYTXNMZRTNBO-LBPRGKRZSA-N
XLogP0.15
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone 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-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 79546057
[1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 128570491
(2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide
CID 95177282
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 51135609
[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 60607994
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 110257208
1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 95770651
[1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55941516
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
[(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305811

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (CID 95177278) is [(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is Cn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCSCC2)cn1.
What is the InChIKey of [(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is VDJYTXNMZRTNBO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N4O3S2/c1-15-10-11(9-14-15)22(19,20)17-4-2-3-12(17)13(18)16-5-7-21-8-6-16/h9-10,12H,2-8H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 344.46 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 95177278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).