4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine

C9H14ClN3O2S2 — CID 115611984

IUPAC4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine
SMILESCC1CN(S(=O)(=O)c2ncn(C)c2Cl)CCS1
InChIInChI=1S/C9H14ClN3O2S2/c1-7-5-13(3-4-16-7)17(14,15)9-8(10)12(2)6-11-9/h6-7H,3-5H2,1-2H3
InChIKeyNGYRXCWFAVYFAO-UHFFFAOYSA-N
MW295.82 g/mol
LogP1.20
Rot. Bonds2

About 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine

4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine (PubChem CID 115611984) has the molecular formula C9H14ClN3O2S2 and a molecular weight of 295.82 g/mol. Its IUPAC name is 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine.

Molecular Properties

Compound Name4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine
PubChem CID115611984
Molecular FormulaC9H14ClN3O2S2
Molecular Weight295.82 g/mol
Exact Mass295.02
IUPAC Name4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine
SMILESCC1CN(S(=O)(=O)c2ncn(C)c2Cl)CCS1
InChIInChI=1S/C9H14ClN3O2S2/c1-7-5-13(3-4-16-7)17(14,15)9-8(10)12(2)6-11-9/h6-7H,3-5H2,1-2H3
InChIKeyNGYRXCWFAVYFAO-UHFFFAOYSA-N
XLogP1.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine 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-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896804
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine
CID 43415248
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridine
CID 115969898
(3S)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-(trifluoromethyl)piperidine
CID 35303035
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine
CID 61045933
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine
CID 115611975
(3R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 51983555
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 60746134
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine
CID 61046514
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 35326952
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine
CID 115671947
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 35298247

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine?
The IUPAC name of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine (CID 115611984) is 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine.
What is the SMILES notation for 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine?
The canonical SMILES for 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine is CC1CN(S(=O)(=O)c2ncn(C)c2Cl)CCS1.
What is the InChIKey of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine?
The InChIKey is NGYRXCWFAVYFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S2/c1-7-5-13(3-4-16-7)17(14,15)9-8(10)12(2)6-11-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine?
4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine has a molecular weight of 295.82 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine is sourced from PubChem (CID 115611984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).