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

C15H29N3O3S — CID 58787222

IUPACN-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C2CCN(C(C)C)CC2)C1=O
InChIInChI=1S/C15H29N3O3S/c1-5-22(20,21)16(4)14-8-11-18(15(14)19)13-6-9-17(10-7-13)12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyRQOWHCGJPYKEDD-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.74
Rot. Bonds5

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

N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide (PubChem CID 58787222) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide
PubChem CID58787222
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C2CCN(C(C)C)CC2)C1=O
InChIInChI=1S/C15H29N3O3S/c1-5-22(20,21)16(4)14-8-11-18(15(14)19)13-6-9-17(10-7-13)12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyRQOWHCGJPYKEDD-UHFFFAOYSA-N
XLogP0.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 44588406
2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
CID 97370260
3-[4-(Ethylsulfonyl)piperazino]-1-isopentyl-2-pyrrolidinone
CID 91913088
1-(2-Methoxyethyl)-3-[4-(propylsulfonyl)piperazino]-2-pyrrolidinone
CID 91925737
3-[4-(Butylsulfonyl)piperazino]-1-(2-methoxyethyl)-2-pyrrolidinone
CID 91925764
1-Isopentyl-3-[4-(methylsulfonyl)piperazino]-2-pyrrolidinone
CID 91925854
1-Isopentyl-3-[4-(isopropylsulfonyl)piperazino]-2-pyrrolidinone
CID 91925890
N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 71896149
1-[(1-Methylsulfonylpiperidin-2-yl)methyl]pyrrolidin-2-one
CID 132282805
N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide
CID 136512808
4-Pyrrolidin-1-ylsulfonyl-1-(2,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 136519513
N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide
CID 164640709

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide (CID 58787222) is N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(C2CCN(C(C)C)CC2)C1=O.
What is the InChIKey of N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is RQOWHCGJPYKEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-5-22(20,21)16(4)14-8-11-18(15(14)19)13-6-9-17(10-7-13)12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide?
N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 58787222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).