(3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide

C14H18N2O3S — CID 95550835

IUPAC(3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
SMILESCc1cc(-c2nccn2C[C@@H]2CCS(=O)(=O)C2)oc1C
InChIInChI=1S/C14H18N2O3S/c1-10-7-13(19-11(10)2)14-15-4-5-16(14)8-12-3-6-20(17,18)9-12/h4-5,7,12H,3,6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyNFJPUAYJETVQQJ-LBPRGKRZSA-N
MW294.38 g/mol
LogP2.19
Rot. Bonds3

About (3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide

(3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide (PubChem CID 95550835) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
PubChem CID95550835
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
SMILESCc1cc(-c2nccn2C[C@@H]2CCS(=O)(=O)C2)oc1C
InChIInChI=1S/C14H18N2O3S/c1-10-7-13(19-11(10)2)14-15-4-5-16(14)8-12-3-6-20(17,18)9-12/h4-5,7,12H,3,6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyNFJPUAYJETVQQJ-LBPRGKRZSA-N
XLogP2.19
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide with MolForge

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Related Compounds

3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide
CID 56865181
(3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
CID 95558582
N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine
CID 106569453
2-[1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 55039624
2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetonitrile
CID 82561656
2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide
CID 82559310
1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine
CID 106569460
4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide
CID 155918918
1-[2-(1,1-dioxothiolan-3-yl)ethyl]-1,2,4-triazol-3-amine
CID 165482828
2-[5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]furan-2-yl]benzonitrile
CID 56869573
3-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylpyridin-2-amine
CID 106875559
6-tert-butyl-3-[[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944582

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide?
The IUPAC name of (3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide (CID 95550835) is (3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide.
What is the SMILES notation for (3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide?
The canonical SMILES for (3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide is Cc1cc(-c2nccn2C[C@@H]2CCS(=O)(=O)C2)oc1C.
What is the InChIKey of (3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide?
The InChIKey is NFJPUAYJETVQQJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-7-13(19-11(10)2)14-15-4-5-16(14)8-12-3-6-20(17,18)9-12/h4-5,7,12H,3,6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide?
(3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide has a molecular weight of 294.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 95550835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).