N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide

C16H31N3O3S — CID 58787214

IUPACN-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1C(=O)N(C2CCN(C(C)C)CC2)CC1C
InChIInChI=1S/C16H31N3O3S/c1-6-23(21,22)17(5)15-13(4)11-19(16(15)20)14-7-9-18(10-8-14)12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyMZSZPNWIKBNIDY-UHFFFAOYSA-N
MW345.51 g/mol
LogP0.99
Rot. Bonds5

About N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide

N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide (PubChem CID 58787214) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide
PubChem CID58787214
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC NameN-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1C(=O)N(C2CCN(C(C)C)CC2)CC1C
InChIInChI=1S/C16H31N3O3S/c1-6-23(21,22)17(5)15-13(4)11-19(16(15)20)14-7-9-18(10-8-14)12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyMZSZPNWIKBNIDY-UHFFFAOYSA-N
XLogP0.99
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide (CID 58787214) is N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide is CCS(=O)(=O)N(C)C1C(=O)N(C2CCN(C(C)C)CC2)CC1C.
What is the InChIKey of N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is MZSZPNWIKBNIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-6-23(21,22)17(5)15-13(4)11-19(16(15)20)14-7-9-18(10-8-14)12(2)3/h12-15H,6-11H2,1-5H3.
What are the key properties of N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide?
N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-methyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 58787214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).