(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol

C12H23NO3S — CID 164639391

IUPAC(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol
SMILESC[C@H](O)C1CCN(S(=O)(=O)CCC2CC2)CC1
InChIInChI=1S/C12H23NO3S/c1-10(14)12-4-7-13(8-5-12)17(15,16)9-6-11-2-3-11/h10-12,14H,2-9H2,1H3/t10-/m0/s1
InChIKeyCSYLNYYEJXHBGC-JTQLQIEISA-N
MW261.39 g/mol
LogP1.21
Rot. Bonds5

About (1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol

(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol (PubChem CID 164639391) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is (1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol
PubChem CID164639391
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol
SMILESC[C@H](O)C1CCN(S(=O)(=O)CCC2CC2)CC1
InChIInChI=1S/C12H23NO3S/c1-10(14)12-4-7-13(8-5-12)17(15,16)9-6-11-2-3-11/h10-12,14H,2-9H2,1H3/t10-/m0/s1
InChIKeyCSYLNYYEJXHBGC-JTQLQIEISA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol (CID 164639391) is (1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol is C[C@H](O)C1CCN(S(=O)(=O)CCC2CC2)CC1.
What is the InChIKey of (1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol?
The InChIKey is CSYLNYYEJXHBGC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO3S/c1-10(14)12-4-7-13(8-5-12)17(15,16)9-6-11-2-3-11/h10-12,14H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol?
(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol has a molecular weight of 261.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 164639391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).