1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine

C16H26N4O4S — CID 72844593

IUPAC1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine
SMILESCC(C)[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C16H26N4O4S/c1-12(2)13-9-20(10-14(13)17-25(23,24)18(3)4)16(22)11-19-8-6-5-7-15(19)21/h5-8,12-14,17H,9-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyVUKQGIIDEUDQFX-UONOGXRCSA-N
MW370.48 g/mol
LogP-0.27
Rot. Bonds6

About 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine

1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine (PubChem CID 72844593) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine.

Molecular Properties

Compound Name1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine
PubChem CID72844593
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine
SMILESCC(C)[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C16H26N4O4S/c1-12(2)13-9-20(10-14(13)17-25(23,24)18(3)4)16(22)11-19-8-6-5-7-15(19)21/h5-8,12-14,17H,9-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyVUKQGIIDEUDQFX-UONOGXRCSA-N
XLogP-0.27
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine with MolForge

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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(2H)-pyridinyl)propanoyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide
CID 72865434
N-{(3R*,4S*)-1-[(2-oxo-1(2H)-pyridinyl)acetyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide
CID 72874351
N-{(3S*,4R*)-1-[(1-ethyl-2-oxo-1,2-dihydro-4-pyridinyl)carbonyl]-4-isopropyl-3-pyrrolidinyl}methanesulfonamide
CID 70722712
1-{2-[(3S*,4R*)-3-(dimethylamino)-4-propyl-1-pyrrolidinyl]-2-oxoethyl}-2(1H)-pyridinone
CID 70739842
N-{(3S*,4R*)-4-isopropyl-1-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propanoyl]pyrrolidin-3-yl}methanesulfonamide
CID 72871795
N-[rel-(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropyl-3-pyrrolidinyl]-1-methyl-2-oxo-1,2-dihydro-4-pyridinecarboxamide hydrochloride
CID 72874748
N'-{rel-(3S,4R)-1-[(2-hydroxy-6-methyl-3-pyridinyl)carbonyl]-4-isopropyl-3-pyrrolidinyl}-N,N-dimethylsulfamide
CID 72883563
N-[(3R*,4S*)-4-cyclopropyl-1-(methylsulfonyl)-3-pyrrolidinyl]-3-(2-oxo-1(2H)-pyridinyl)propanamide
CID 72916028
1-{2-[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]-2-oxoethyl}-2(1H)-pyridinone
CID 72921217
N'-{(3S*,4R*)-4-isopropyl-1-[(6-oxo-1,6-dihydro-3-pyridinyl)carbonyl]-3-pyrrolidinyl}-N,N-dimethylsulfamide
CID 72938054
N-[1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 77898337

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine?
The IUPAC name of 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine (CID 72844593) is 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine.
What is the SMILES notation for 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine?
The canonical SMILES for 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine is CC(C)[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine?
The InChIKey is VUKQGIIDEUDQFX-UONOGXRCSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-12(2)13-9-20(10-14(13)17-25(23,24)18(3)4)16(22)11-19-8-6-5-7-15(19)21/h5-8,12-14,17H,9-11H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine?
1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine has a molecular weight of 370.48 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine is sourced from PubChem (CID 72844593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).