[1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol

C13H23NO3S — CID 126804788

IUPAC[1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CC12CCC(CC1)C2)N1CCCC1CO
InChIInChI=1S/C13H23NO3S/c15-9-12-2-1-7-14(12)18(16,17)10-13-5-3-11(8-13)4-6-13/h11-12,15H,1-10H2
InChIKeyWMUZZJFMLKGRTC-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.35
Rot. Bonds4

About [1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol

[1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 126804788) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is [1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID126804788
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name[1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CC12CCC(CC1)C2)N1CCCC1CO
InChIInChI=1S/C13H23NO3S/c15-9-12-2-1-7-14(12)18(16,17)10-13-5-3-11(8-13)4-6-13/h11-12,15H,1-10H2
InChIKeyWMUZZJFMLKGRTC-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
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2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid
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(1-propylsulfonylpiperidin-2-yl)methanol
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[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
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[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol
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N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
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CID 116814735

Frequently Asked Questions

What is the IUPAC name of [1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol (CID 126804788) is [1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol is O=S(=O)(CC12CCC(CC1)C2)N1CCCC1CO.
What is the InChIKey of [1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is WMUZZJFMLKGRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c15-9-12-2-1-7-14(12)18(16,17)10-13-5-3-11(8-13)4-6-13/h11-12,15H,1-10H2.
What are the key properties of [1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol?
[1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 273.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-bicyclo[2.2.1]heptanylmethylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 126804788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).