3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol

C10H20N2O3S — CID 114683822

IUPAC3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)C2CCNC2)CCC1O
InChIInChI=1S/C10H20N2O3S/c1-8-7-12(5-3-10(8)13)16(14,15)9-2-4-11-6-9/h8-11,13H,2-7H2,1H3
InChIKeyLFVCTCOYUMIAFP-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.62
Rot. Bonds2

About 3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol

3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol (PubChem CID 114683822) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol
PubChem CID114683822
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)C2CCNC2)CCC1O
InChIInChI=1S/C10H20N2O3S/c1-8-7-12(5-3-10(8)13)16(14,15)9-2-4-11-6-9/h8-11,13H,2-7H2,1H3
InChIKeyLFVCTCOYUMIAFP-UHFFFAOYSA-N
XLogP-0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol?
The IUPAC name of 3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol (CID 114683822) is 3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol.
What is the SMILES notation for 3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol?
The canonical SMILES for 3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol is CC1CN(S(=O)(=O)C2CCNC2)CCC1O.
What is the InChIKey of 3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol?
The InChIKey is LFVCTCOYUMIAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8-7-12(5-3-10(8)13)16(14,15)9-2-4-11-6-9/h8-11,13H,2-7H2,1H3.
What are the key properties of 3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol?
3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol has a molecular weight of 248.35 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol is sourced from PubChem (CID 114683822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).