N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide

C15H29N3O3S — CID 136512808

IUPACN-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C15H29N3O3S/c1-12-6-9-17(10-7-12)15(19)13(2)18-8-4-5-14(18)11-22(20,21)16-3/h12-14,16H,4-11H2,1-3H3
InChIKeyUGXOXLLUEZVPKU-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.65
Rot. Bonds5

About N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide

N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide (PubChem CID 136512808) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide
PubChem CID136512808
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C15H29N3O3S/c1-12-6-9-17(10-7-12)15(19)13(2)18-8-4-5-14(18)11-22(20,21)16-3/h12-14,16H,4-11H2,1-3H3
InChIKeyUGXOXLLUEZVPKU-UHFFFAOYSA-N
XLogP0.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide (CID 136512808) is N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide is CNS(=O)(=O)CC1CCCN1C(C)C(=O)N1CCC(C)CC1.
What is the InChIKey of N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is UGXOXLLUEZVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-12-6-9-17(10-7-12)15(19)13(2)18-8-4-5-14(18)11-22(20,21)16-3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide?
N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 136512808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).