[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol

C12H23NO3S — CID 127639081

IUPAC[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol
SMILESO=S(=O)(CC1CCCC1)N1CCCC(CO)C1
InChIInChI=1S/C12H23NO3S/c14-9-12-6-3-7-13(8-12)17(15,16)10-11-4-1-2-5-11/h11-12,14H,1-10H2
InChIKeyDPUOEKOAHJSTKF-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.21
Rot. Bonds4

About [1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol

[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol (PubChem CID 127639081) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is [1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol
PubChem CID127639081
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol
SMILESO=S(=O)(CC1CCCC1)N1CCCC(CO)C1
InChIInChI=1S/C12H23NO3S/c14-9-12-6-3-7-13(8-12)17(15,16)10-11-4-1-2-5-11/h11-12,14H,1-10H2
InChIKeyDPUOEKOAHJSTKF-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 [1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol (CID 127639081) is [1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol is O=S(=O)(CC1CCCC1)N1CCCC(CO)C1.
What is the InChIKey of [1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol?
The InChIKey is DPUOEKOAHJSTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c14-9-12-6-3-7-13(8-12)17(15,16)10-11-4-1-2-5-11/h11-12,14H,1-10H2.
What are the key properties of [1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol?
[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol has a molecular weight of 261.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylmethylsulfonyl)piperidin-3-yl]methanol is sourced from PubChem (CID 127639081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).