2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine

C10H17N3O2S2 — CID 71871349

IUPAC2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine
SMILESCC1CN(S(=O)(=O)c2cn(C)cn2)CC(C)S1
InChIInChI=1S/C10H17N3O2S2/c1-8-4-13(5-9(2)16-8)17(14,15)10-6-12(3)7-11-10/h6-9H,4-5H2,1-3H3
InChIKeyINDOHPFSEGTNTD-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.93
Rot. Bonds2

About 2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine

2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine (PubChem CID 71871349) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine
PubChem CID71871349
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine
SMILESCC1CN(S(=O)(=O)c2cn(C)cn2)CC(C)S1
InChIInChI=1S/C10H17N3O2S2/c1-8-4-13(5-9(2)16-8)17(14,15)10-6-12(3)7-11-10/h6-9H,4-5H2,1-3H3
InChIKeyINDOHPFSEGTNTD-UHFFFAOYSA-N
XLogP0.93
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
4-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)thiomorpholine
CID 72024489
N,N,1-trimethyl-1H-imidazole-4-sulfonamide
CID 47002931
(4aR*,7aS*)-1-(3-methyl-2-buten-1-yl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70722834
(4aR,7aS)-4-(1-methylimidazol-4-yl)sulfonyl-1-(2-methylpropyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70763680
8-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 71806338
4-(1-Methylimidazol-4-yl)sulfonyl-1-thia-4-azaspiro[5.5]undecane
CID 71860556
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
4-(1,2-Dimethylimidazol-4-yl)sulfonyl-1-thia-4-azaspiro[5.5]undecane
CID 71975848
1H-Imidazole-4-sulfonamide, 1-(2-methylpropyl)-
CID 75356295
(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine
CID 164631900
1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide
CID 3071456

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine?
The IUPAC name of 2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine (CID 71871349) is 2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine.
What is the SMILES notation for 2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine?
The canonical SMILES for 2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine is CC1CN(S(=O)(=O)c2cn(C)cn2)CC(C)S1.
What is the InChIKey of 2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine?
The InChIKey is INDOHPFSEGTNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-8-4-13(5-9(2)16-8)17(14,15)10-6-12(3)7-11-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine?
2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine has a molecular weight of 275.40 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine is sourced from PubChem (CID 71871349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).