(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol

C11H22N2O3S — CID 113249309

IUPAC(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
SMILESCS(=O)(=O)N1CCCC(CN2CC[C@H](O)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-5-2-3-10(8-13)7-12-6-4-11(14)9-12/h10-11,14H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyFKZXDJJTMIVWTQ-DTIOYNMSSA-N
MW262.37 g/mol
LogP-0.28
Rot. Bonds3

About (3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol

(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 113249309) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is (3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
PubChem CID113249309
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
SMILESCS(=O)(=O)N1CCCC(CN2CC[C@H](O)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-5-2-3-10(8-13)7-12-6-4-11(14)9-12/h10-11,14H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyFKZXDJJTMIVWTQ-DTIOYNMSSA-N
XLogP-0.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
CID 79612398
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79612897
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
3-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 106838284
3-[[4-(1-chloroethyl)piperidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 106838056
1-(2-chloroethyl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79622215
3,5-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine;hydrochloride
CID 119924247
1-(cyclopentylmethyl)pyrrolidin-3-ol
CID 62916815

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol (CID 113249309) is (3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol is CS(=O)(=O)N1CCCC(CN2CC[C@H](O)C2)C1.
What is the InChIKey of (3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is FKZXDJJTMIVWTQ-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(15,16)13-5-2-3-10(8-13)7-12-6-4-11(14)9-12/h10-11,14H,2-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of (3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 262.37 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 113249309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).