[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol

C13H26N2O3S — CID 116636735

IUPAC[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)N2CCCCCC2CO)CC1
InChIInChI=1S/C13H26N2O3S/c1-12-6-9-14(10-7-12)19(17,18)15-8-4-2-3-5-13(15)11-16/h12-13,16H,2-11H2,1H3
InChIKeyYMNIVVOIGOKJGQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.20
Rot. Bonds3

About [1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol

[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol (PubChem CID 116636735) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is [1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol
PubChem CID116636735
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)N2CCCCCC2CO)CC1
InChIInChI=1S/C13H26N2O3S/c1-12-6-9-14(10-7-12)19(17,18)15-8-4-2-3-5-13(15)11-16/h12-13,16H,2-11H2,1H3
InChIKeyYMNIVVOIGOKJGQ-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409018
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 28784096
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
CID 79560533
1-[2-(bromomethyl)piperidin-1-yl]sulfonylazepane
CID 80677173
[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969168
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546293
1-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60857643
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545984
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol?
The IUPAC name of [1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol (CID 116636735) is [1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol.
What is the SMILES notation for [1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol?
The canonical SMILES for [1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol is CC1CCN(S(=O)(=O)N2CCCCCC2CO)CC1.
What is the InChIKey of [1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol?
The InChIKey is YMNIVVOIGOKJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-12-6-9-14(10-7-12)19(17,18)15-8-4-2-3-5-13(15)11-16/h12-13,16H,2-11H2,1H3.
What are the key properties of [1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol?
[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol has a molecular weight of 290.43 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol is sourced from PubChem (CID 116636735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).