[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol

C12H23NO3S — CID 62371166

IUPAC[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(CC1CCCCC1)N1CCC(CO)C1
InChIInChI=1S/C12H23NO3S/c14-9-12-6-7-13(8-12)17(15,16)10-11-4-2-1-3-5-11/h11-12,14H,1-10H2
InChIKeyDXTFYLCZGQYLJT-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.21
Rot. Bonds4

About [1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol

[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol (PubChem CID 62371166) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is [1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol
PubChem CID62371166
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(CC1CCCCC1)N1CCC(CO)C1
InChIInChI=1S/C12H23NO3S/c14-9-12-6-7-13(8-12)17(15,16)10-11-4-2-1-3-5-11/h11-12,14H,1-10H2
InChIKeyDXTFYLCZGQYLJT-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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Related Compounds

[(3S)-1-pentylsulfonylpyrrolidin-3-yl]methanol
CID 97306346
[(3S,4S)-1-(3,5-dimethylcyclohexyl)sulfonyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 167941570
[4-[(1,1-Dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol
CID 135152307
1-(Cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine
CID 175184417
[1-(Cyclohexylmethylsulfonyl)piperidin-4-yl]methanol
CID 54947524
1-cyclohexyl-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
CID 54947525
[1-(Cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol
CID 54947577
[(2S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol
CID 56794304
(1-Propan-2-ylsulfonylpyrrolidin-3-yl)methanol
CID 62370436
(1-Propylsulfonylpyrrolidin-3-yl)methanol
CID 62370623
(1-Butylsulfonylpyrrolidin-3-yl)methanol
CID 62370811
(1-Cyclohexylsulfonylpyrrolidin-3-yl)methanol
CID 62370983

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol (CID 62371166) is [1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol is O=S(=O)(CC1CCCCC1)N1CCC(CO)C1.
What is the InChIKey of [1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol?
The InChIKey is DXTFYLCZGQYLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c14-9-12-6-7-13(8-12)17(15,16)10-11-4-2-1-3-5-11/h11-12,14H,1-10H2.
What are the key properties of [1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol?
[1-(cyclohexylmethylsulfonyl)pyrrolidin-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-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62371166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).