1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol

C15H21NO4S — CID 101413142

IUPAC1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C2(O)CC2)cc1
InChIInChI=1S/C15H21NO4S/c1-20-12-5-7-13(8-6-12)21(18,19)16-11-3-2-4-14(16)15(17)9-10-15/h5-8,14,17H,2-4,9-11H2,1H3/t14-/m0/s1
InChIKeyFFMOQEBAPGNGBZ-AWEZNQCLSA-N
MW311.40 g/mol
LogP1.76
Rot. Bonds4

About 1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol

1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol (PubChem CID 101413142) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol
PubChem CID101413142
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C2(O)CC2)cc1
InChIInChI=1S/C15H21NO4S/c1-20-12-5-7-13(8-6-12)21(18,19)16-11-3-2-4-14(16)15(17)9-10-15/h5-8,14,17H,2-4,9-11H2,1H3/t14-/m0/s1
InChIKeyFFMOQEBAPGNGBZ-AWEZNQCLSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 80676501
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
1-(4-methoxyphenyl)sulfonyl-3-oxoazepane-2-carboxamide
CID 173158629
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124677567
(2S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 95078943
2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
CID 59746443
2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 53096130
4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide
CID 27304150
[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394932

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol?
The IUPAC name of 1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol (CID 101413142) is 1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol is COc1ccc(S(=O)(=O)N2CCCC[C@H]2C2(O)CC2)cc1.
What is the InChIKey of 1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol?
The InChIKey is FFMOQEBAPGNGBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-20-12-5-7-13(8-6-12)21(18,19)16-11-3-2-4-14(16)15(17)9-10-15/h5-8,14,17H,2-4,9-11H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol?
1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol has a molecular weight of 311.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 101413142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).