[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

C15H28N2O4S — CID 136536833

IUPAC[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCCCC1(CO)CCCN1C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H28N2O4S/c1-3-7-15(12-18)8-4-9-17(15)14(19)13-5-10-16(11-6-13)22(2,20)21/h13,18H,3-12H2,1-2H3
InChIKeyIZMZEDNYWBKTBX-UHFFFAOYSA-N
MW332.47 g/mol
LogP0.81
Rot. Bonds5

About [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 136536833) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID136536833
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Name[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCCCC1(CO)CCCN1C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H28N2O4S/c1-3-7-15(12-18)8-4-9-17(15)14(19)13-5-10-16(11-6-13)22(2,20)21/h13,18H,3-12H2,1-2H3
InChIKeyIZMZEDNYWBKTBX-UHFFFAOYSA-N
XLogP0.81
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 136536833) is [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is CCCC1(CO)CCCN1C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is IZMZEDNYWBKTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-3-7-15(12-18)8-4-9-17(15)14(19)13-5-10-16(11-6-13)22(2,20)21/h13,18H,3-12H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 332.47 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 136536833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).