[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol

C12H19NO4S2 — CID 107396073

IUPAC[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
SMILESCOC1(C)CCCN(S(=O)(=O)c2csc(CO)c2)C1
InChIInChI=1S/C12H19NO4S2/c1-12(17-2)4-3-5-13(9-12)19(15,16)11-6-10(7-14)18-8-11/h6,8,14H,3-5,7,9H2,1-2H3
InChIKeyXUCXOKWJPPPKEK-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.43
Rot. Bonds4

About [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol

[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol (PubChem CID 107396073) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
PubChem CID107396073
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
SMILESCOC1(C)CCCN(S(=O)(=O)c2csc(CO)c2)C1
InChIInChI=1S/C12H19NO4S2/c1-12(17-2)4-3-5-13(9-12)19(15,16)11-6-10(7-14)18-8-11/h6,8,14H,3-5,7,9H2,1-2H3
InChIKeyXUCXOKWJPPPKEK-UHFFFAOYSA-N
XLogP1.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine
CID 107396205
4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 107390951
1-(4-bromo-3-methylphenyl)sulfonyl-3-methoxy-3-methylpiperidine
CID 107394304
2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390440
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 107394155
1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 107396221
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol
CID 107393856
5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 107390938
3,5-difluoro-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390370
methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
CID 107390968
1-[5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylfuran-2-yl]-N-methylmethanamine
CID 107396218
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine
CID 107393489

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol?
The IUPAC name of [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol (CID 107396073) is [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol.
What is the SMILES notation for [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol?
The canonical SMILES for [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol is COC1(C)CCCN(S(=O)(=O)c2csc(CO)c2)C1.
What is the InChIKey of [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol?
The InChIKey is XUCXOKWJPPPKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-12(17-2)4-3-5-13(9-12)19(15,16)11-6-10(7-14)18-8-11/h6,8,14H,3-5,7,9H2,1-2H3.
What are the key properties of [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol?
[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol has a molecular weight of 305.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol is sourced from PubChem (CID 107396073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).