N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide

C17H33N3O3S — CID 58787209

IUPACN-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1C(=O)N(C2CCN(C(C)C)CC2)CC1(C)C
InChIInChI=1S/C17H33N3O3S/c1-7-24(22,23)18(6)15-16(21)20(12-17(15,4)5)14-8-10-19(11-9-14)13(2)3/h13-15H,7-12H2,1-6H3
InChIKeyQPLJZCSKIAMFKJ-UHFFFAOYSA-N
MW359.54 g/mol
LogP1.38
Rot. Bonds5

About N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide

N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide (PubChem CID 58787209) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide
PubChem CID58787209
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC NameN-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1C(=O)N(C2CCN(C(C)C)CC2)CC1(C)C
InChIInChI=1S/C17H33N3O3S/c1-7-24(22,23)18(6)15-16(21)20(12-17(15,4)5)14-8-10-19(11-9-14)13(2)3/h13-15H,7-12H2,1-6H3
InChIKeyQPLJZCSKIAMFKJ-UHFFFAOYSA-N
XLogP1.38
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide?
The IUPAC name of N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide (CID 58787209) is N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide?
The canonical SMILES for N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1C(=O)N(C2CCN(C(C)C)CC2)CC1(C)C.
What is the InChIKey of N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide?
The InChIKey is QPLJZCSKIAMFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-7-24(22,23)18(6)15-16(21)20(12-17(15,4)5)14-8-10-19(11-9-14)13(2)3/h13-15H,7-12H2,1-6H3.
What are the key properties of N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide?
N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide has a molecular weight of 359.54 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 58787209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).