N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C15H21N3O4S — CID 72877795

IUPACN-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCn1cccc(C(=O)N2C[C@H](NS(C)(=O)=O)[C@@H](C3CC3)C2)c1=O
InChIInChI=1S/C15H21N3O4S/c1-17-7-3-4-11(14(17)19)15(20)18-8-12(10-5-6-10)13(9-18)16-23(2,21)22/h3-4,7,10,12-13,16H,5-6,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyBLLHGXHRDGLNDG-OLZOCXBDSA-N
MW339.42 g/mol
LogP-0.21
Rot. Bonds4

About N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 72877795) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID72877795
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCn1cccc(C(=O)N2C[C@H](NS(C)(=O)=O)[C@@H](C3CC3)C2)c1=O
InChIInChI=1S/C15H21N3O4S/c1-17-7-3-4-11(14(17)19)15(20)18-8-12(10-5-6-10)13(9-18)16-23(2,21)22/h3-4,7,10,12-13,16H,5-6,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyBLLHGXHRDGLNDG-OLZOCXBDSA-N
XLogP-0.21
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{(3S*,4R*)-4-isopropyl-1-[3-(2-oxo-1(2H)-pyridinyl)propanoyl]-3-pyrrolidinyl}methanesulfonamide
CID 70709757
N-[(3R,4S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 72865434
N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 72874351
3-[3-(1-Methanesulfonylpiperidin-4-YL)pyrrolidine-1-carbonyl]pyridin-2-OL
CID 91910337
1,6-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-3-carboxamide
CID 72862071
1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 72887547
N-[(3R,4S)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 164630548
N-{(3S*,4R*)-1-[(1-ethyl-2-oxo-1,2-dihydro-4-pyridinyl)carbonyl]-4-isopropyl-3-pyrrolidinyl}methanesulfonamide
CID 70722712
N-{(3S*,4R*)-1-[(2-hydroxy-3-pyridinyl)carbonyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide
CID 70736321
N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 72861045
N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 72871795
3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 72880310

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 72877795) is N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide is Cn1cccc(C(=O)N2C[C@H](NS(C)(=O)=O)[C@@H](C3CC3)C2)c1=O.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is BLLHGXHRDGLNDG-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-17-7-3-4-11(14(17)19)15(20)18-8-12(10-5-6-10)13(9-18)16-23(2,21)22/h3-4,7,10,12-13,16H,5-6,8-9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 339.42 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72877795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).