(4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine

C8H13N3O2S2 — CID 137334005

IUPAC(4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine
SMILESCS(=O)(=O)c1nccn1C[C@H]1CSCN1
InChIInChI=1S/C8H13N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,7,10H,4-6H2,1H3/t7-/m0/s1
InChIKeyLTWGQVUYHWMFON-ZETCQYMHSA-N
MW247.34 g/mol
LogP-0.05
Rot. Bonds3

About (4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine

(4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine (PubChem CID 137334005) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine.

Molecular Properties

Compound Name(4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine
PubChem CID137334005
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name(4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine
SMILESCS(=O)(=O)c1nccn1C[C@H]1CSCN1
InChIInChI=1S/C8H13N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,7,10H,4-6H2,1H3/t7-/m0/s1
InChIKeyLTWGQVUYHWMFON-ZETCQYMHSA-N
XLogP-0.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 2810678
1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole
CID 23658977
1-(1,1-Dioxothiolan-3-yl)-3-(2-imidazol-1-ylethyl)urea
CID 71894170
4-[(2-Methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine
CID 172429158
3-(3-methylimidazol-3-ium-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]propane-1-sulfonamide
CID 101858673
Dihydroimidazo[2,1-b]thiazol-3-ylmethanamine
CID 129864779
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 43088501
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine
CID 64631832
2-(Azetidine-3-sulfonyl)-1-methyl-1H-imidazole
CID 71777936
4-((1-Methyl-1H-imidazol-2-yl)sulfonyl)piperidine
CID 71777950
2-[(3-Azetidinylmethyl)sulfonyl]-1-methyl-1H-imidazole
CID 21978400
1-(1-Methylimidazol-2-yl)sulfonylethanamine;hydrochloride
CID 22018176

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine?
The IUPAC name of (4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine (CID 137334005) is (4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine.
What is the SMILES notation for (4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine?
The canonical SMILES for (4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine is CS(=O)(=O)c1nccn1C[C@H]1CSCN1.
What is the InChIKey of (4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine?
The InChIKey is LTWGQVUYHWMFON-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,7,10H,4-6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine?
(4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine has a molecular weight of 247.34 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine is sourced from PubChem (CID 137334005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).