4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine

C9H13ClN2O2S3 — CID 115671947

IUPAC4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCSC(C)C1
InChIInChI=1S/C9H13ClN2O2S3/c1-6-5-12(3-4-15-6)17(13,14)8-7(2)11-9(10)16-8/h6H,3-5H2,1-2H3
InChIKeyIGDKVUQSVMPIGA-UHFFFAOYSA-N
MW312.87 g/mol
LogP2.23
Rot. Bonds2

About 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine

4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine (PubChem CID 115671947) has the molecular formula C9H13ClN2O2S3 and a molecular weight of 312.87 g/mol. Its IUPAC name is 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine.

Molecular Properties

Compound Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine
PubChem CID115671947
Molecular FormulaC9H13ClN2O2S3
Molecular Weight312.87 g/mol
Exact Mass311.98
IUPAC Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCSC(C)C1
InChIInChI=1S/C9H13ClN2O2S3/c1-6-5-12(3-4-15-6)17(13,14)8-7(2)11-9(10)16-8/h6H,3-5H2,1-2H3
InChIKeyIGDKVUQSVMPIGA-UHFFFAOYSA-N
XLogP2.23
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane
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(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
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4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
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2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
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4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562748
N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 61041111
2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 55061949
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
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4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine
CID 115611984
2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole
CID 79477565
2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole
CID 61041259
2-chloro-4-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazole
CID 61047057

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine?
The IUPAC name of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine (CID 115671947) is 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine.
What is the SMILES notation for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine?
The canonical SMILES for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine is Cc1nc(Cl)sc1S(=O)(=O)N1CCSC(C)C1.
What is the InChIKey of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine?
The InChIKey is IGDKVUQSVMPIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S3/c1-6-5-12(3-4-15-6)17(13,14)8-7(2)11-9(10)16-8/h6H,3-5H2,1-2H3.
What are the key properties of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine?
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine has a molecular weight of 312.87 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine is sourced from PubChem (CID 115671947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).