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

C12H24N2O3S — CID 103746462

IUPAC3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
SMILESCC1(O)CCN(CC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C12H24N2O3S/c1-12(15)5-7-13(10-12)8-11-4-3-6-14(9-11)18(2,16)17/h11,15H,3-10H2,1-2H3
InChIKeyKPMMKOZGSDRQEG-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.11
Rot. Bonds3

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

3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 103746462) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
PubChem CID103746462
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
SMILESCC1(O)CCN(CC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C12H24N2O3S/c1-12(15)5-7-13(10-12)8-11-4-3-6-14(9-11)18(2,16)17/h11,15H,3-10H2,1-2H3
InChIKeyKPMMKOZGSDRQEG-UHFFFAOYSA-N
XLogP0.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-Methylsulfonylpiperidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 86778781
(3R)-1-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97045268
(3R)-1-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97045269
(3S)-1-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 100083523
(3S)-1-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 100083525
3-[(4,4-Difluoropiperidin-1-yl)methyl]-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 110098088
3-[(4,4-Difluoropiperidin-1-yl)methyl]-1-ethylsulfonylpyrrolidin-3-ol
CID 110108990
3-[(4,4-Difluoropiperidin-1-yl)methyl]-1-propylsulfonylpyrrolidin-3-ol
CID 110108991
(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1-propylsulfonylpyrrolidin-3-ol
CID 125004665
(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1-propylsulfonylpyrrolidin-3-ol
CID 125004666
(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 125007521
(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 125007522

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol (CID 103746462) is 3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol is CC1(O)CCN(CC2CCCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of 3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is KPMMKOZGSDRQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-12(15)5-7-13(10-12)8-11-4-3-6-14(9-11)18(2,16)17/h11,15H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol?
3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 276.40 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103746462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).