(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol

C11H21NO3S — CID 62370983

IUPAC(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol
SMILESO=S(=O)(C1CCCCC1)N1CCC(CO)C1
InChIInChI=1S/C11H21NO3S/c13-9-10-6-7-12(8-10)16(14,15)11-4-2-1-3-5-11/h10-11,13H,1-9H2
InChIKeyNVYNQNJCXALXSX-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.96
Rot. Bonds3

About (1-cyclohexylsulfonylpyrrolidin-3-yl)methanol

(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol (PubChem CID 62370983) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is (1-cyclohexylsulfonylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol
PubChem CID62370983
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol
SMILESO=S(=O)(C1CCCCC1)N1CCC(CO)C1
InChIInChI=1S/C11H21NO3S/c13-9-10-6-7-12(8-10)16(14,15)11-4-2-1-3-5-11/h10-11,13H,1-9H2
InChIKeyNVYNQNJCXALXSX-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62085839
(4-cyclopentylsulfonylmorpholin-2-yl)methanol
CID 115755555
[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
CID 64987457
1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
CID 55150630
3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine
CID 63400590
[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol
CID 62086020
1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol
CID 112627564
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63879103
1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
CID 61132450
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63877943
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
4-bromo-1-cyclohexylsulfonyl-3-methylpiperidine
CID 114683695

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylsulfonylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-cyclohexylsulfonylpyrrolidin-3-yl)methanol (CID 62370983) is (1-cyclohexylsulfonylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-cyclohexylsulfonylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-cyclohexylsulfonylpyrrolidin-3-yl)methanol is O=S(=O)(C1CCCCC1)N1CCC(CO)C1.
What is the InChIKey of (1-cyclohexylsulfonylpyrrolidin-3-yl)methanol?
The InChIKey is NVYNQNJCXALXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-9-10-6-7-12(8-10)16(14,15)11-4-2-1-3-5-11/h10-11,13H,1-9H2.
What are the key properties of (1-cyclohexylsulfonylpyrrolidin-3-yl)methanol?
(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol has a molecular weight of 247.36 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylsulfonylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 62370983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).