[4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol

C12H19NO4S2 — CID 102970827

IUPAC[4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol
SMILESCOC1CCCN(S(=O)(=O)c2cc(CO)sc2C)C1
InChIInChI=1S/C12H19NO4S2/c1-9-12(6-11(8-14)18-9)19(15,16)13-5-3-4-10(7-13)17-2/h6,10,14H,3-5,7-8H2,1-2H3
InChIKeyCNQHSHNHDOTKCJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.35
Rot. Bonds4

About [4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol

[4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol (PubChem CID 102970827) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol
PubChem CID102970827
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name[4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol
SMILESCOC1CCCN(S(=O)(=O)c2cc(CO)sc2C)C1
InChIInChI=1S/C12H19NO4S2/c1-9-12(6-11(8-14)18-9)19(15,16)13-5-3-4-10(7-13)17-2/h6,10,14H,3-5,7-8H2,1-2H3
InChIKeyCNQHSHNHDOTKCJ-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

[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol
CID 102970866
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970851
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
1-[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]-N-methylmethanamine
CID 102971758
1-[5-(chloromethyl)-2,3-dimethylphenyl]sulfonyl-3-methoxypiperidine
CID 102969093
3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 102955371
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084328
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
[3-bromo-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylphenyl]methanol
CID 103541087
N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102971861
[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine
CID 102971771
[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 102971809

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol?
The IUPAC name of [4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol (CID 102970827) is [4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol.
What is the SMILES notation for [4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol?
The canonical SMILES for [4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol is COC1CCCN(S(=O)(=O)c2cc(CO)sc2C)C1.
What is the InChIKey of [4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol?
The InChIKey is CNQHSHNHDOTKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-9-12(6-11(8-14)18-9)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 [4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol?
[4-(3-methoxypiperidin-1-yl)sulfonyl-5-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 [4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol is sourced from PubChem (CID 102970827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).