1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol

C11H21NO3S — CID 103871359

IUPAC1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C11H21NO3S/c1-11(13)7-8-12(9-11)16(14,15)10-5-3-2-4-6-10/h10,13H,2-9H2,1H3
InChIKeyJEIDKZDZAMYSSE-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.11
Rot. Bonds2

About 1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol

1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 103871359) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol
PubChem CID103871359
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C11H21NO3S/c1-11(13)7-8-12(9-11)16(14,15)10-5-3-2-4-6-10/h10,13H,2-9H2,1H3
InChIKeyJEIDKZDZAMYSSE-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-cyclohexylsulfonylpyrrolidin-3-ol
CID 66291304
(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol
CID 164634547
3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 113356087
1-(Cyclohexylmethylsulfonyl)-3-(difluoromethyl)pyrrolidin-3-ol
CID 128583963
(3R*,4R*)-3-isopropyl-1-(isopropylsulfonyl)-4-methyl-3-pyrrolidinol
CID 72882368
1-(Cyclohexylmethylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871356
1-(Cyclohexanesulfonyl)pyrrolidin-3-ol
CID 62916957
1-Cyclohexylsulfonyl-3-ethylazetidin-3-ol
CID 65929176
(3S)-1-cyclohexylsulfonylpyrrolidin-3-ol
CID 79031695
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexanesulfonamide
CID 79387799
1-Tert-butylsulfonyl-3-methylpyrrolidin-3-ol
CID 103357551

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol (CID 103871359) is 1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol is CC1(O)CCN(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is JEIDKZDZAMYSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(13)7-8-12(9-11)16(14,15)10-5-3-2-4-6-10/h10,13H,2-9H2,1H3.
What are the key properties of 1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol?
1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 247.36 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103871359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).