[(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone

C14H25N3O3S2 — CID 124812682

IUPAC[(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H]1CCCCN1S(=O)(=O)N1CSC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C14H25N3O3S2/c1-12-6-2-3-9-16(12)22(19,20)17-11-21-10-13(17)14(18)15-7-4-5-8-15/h12-13H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyFTNNYSPDOGQCAV-STQMWFEESA-N
MW347.51 g/mol
LogP1.10
Rot. Bonds3

About [(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone

[(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 124812682) has the molecular formula C14H25N3O3S2 and a molecular weight of 347.51 g/mol. Its IUPAC name is [(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID124812682
Molecular FormulaC14H25N3O3S2
Molecular Weight347.51 g/mol
Exact Mass347.13
IUPAC Name[(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H]1CCCCN1S(=O)(=O)N1CSC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C14H25N3O3S2/c1-12-6-2-3-9-16(12)22(19,20)17-11-21-10-13(17)14(18)15-7-4-5-8-15/h12-13H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyFTNNYSPDOGQCAV-STQMWFEESA-N
XLogP1.10
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 86776938
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
(4R)-3-pyrrolidin-1-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 28784467
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
(4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28784491
7,7-dimethyl-1-[[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
CID 75419225
4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43099011
(2S)-2-methylpiperidine-1-sulfonyl chloride
CID 98117610
2-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 62671714

Frequently Asked Questions

What is the IUPAC name of [(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone (CID 124812682) is [(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone is C[C@H]1CCCCN1S(=O)(=O)N1CSC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of [(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FTNNYSPDOGQCAV-STQMWFEESA-N. The full InChI is InChI=1S/C14H25N3O3S2/c1-12-6-2-3-9-16(12)22(19,20)17-11-21-10-13(17)14(18)15-7-4-5-8-15/h12-13H,2-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of [(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone?
[(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 347.51 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 124812682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).