methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate

C12H18N2O5S2 — CID 107390968

IUPACmethyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H18N2O5S2/c1-12(19-3)5-4-6-14(7-12)21(16,17)11-9(10(15)18-2)13-8-20-11/h8H,4-7H2,1-3H3
InChIKeyWICFOIDGHBFZPC-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.12
Rot. Bonds4

About methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate

methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate (PubChem CID 107390968) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
PubChem CID107390968
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Namemethyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H18N2O5S2/c1-12(19-3)5-4-6-14(7-12)21(16,17)11-9(10(15)18-2)13-8-20-11/h8H,4-7H2,1-3H3
InChIKeyWICFOIDGHBFZPC-UHFFFAOYSA-N
XLogP1.12
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate (CID 107390968) is methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)N1CCCC(C)(OC)C1.
What is the InChIKey of methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
The InChIKey is WICFOIDGHBFZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-12(19-3)5-4-6-14(7-12)21(16,17)11-9(10(15)18-2)13-8-20-11/h8H,4-7H2,1-3H3.
What are the key properties of methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107390968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).