[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol

C12H19NO4S2 — CID 102970866

IUPAC[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol
SMILESCOC1CCCN(S(=O)(=O)c2cc(C)c(CO)s2)C1
InChIInChI=1S/C12H19NO4S2/c1-9-6-12(18-11(9)8-14)19(15,16)13-5-3-4-10(7-13)17-2/h6,10,14H,3-5,7-8H2,1-2H3
InChIKeyJYYOKRBDMJXIRI-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.35
Rot. Bonds4

About [5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol

[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol (PubChem CID 102970866) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol
PubChem CID102970866
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol
SMILESCOC1CCCN(S(=O)(=O)c2cc(C)c(CO)s2)C1
InChIInChI=1S/C12H19NO4S2/c1-9-6-12(18-11(9)8-14)19(15,16)13-5-3-4-10(7-13)17-2/h6,10,14H,3-5,7-8H2,1-2H3
InChIKeyJYYOKRBDMJXIRI-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]-N-methylmethanamine
CID 102971758
[4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol
CID 102970827
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 102959737
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970851
1-[5-(chloromethyl)-2,3-dimethylphenyl]sulfonyl-3-methoxypiperidine
CID 102969093
3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
CID 106505482
2-[5-(chloromethyl)-4-methylthiophen-2-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79936333
ethyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 103100561
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
CID 103100198
5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 43372972
[5-(3-ethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanamine
CID 113419419

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol?
The IUPAC name of [5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol (CID 102970866) is [5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol.
What is the SMILES notation for [5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol?
The canonical SMILES for [5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol is COC1CCCN(S(=O)(=O)c2cc(C)c(CO)s2)C1.
What is the InChIKey of [5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol?
The InChIKey is JYYOKRBDMJXIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-9-6-12(18-11(9)8-14)19(15,16)13-5-3-4-10(7-13)17-2/h6,10,14H,3-5,7-8H2,1-2H3.
What are the key properties of [5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol?
[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol has a molecular weight of 305.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol is sourced from PubChem (CID 102970866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).