N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C16H25N3O4S — CID 70709757

IUPACN-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C16H25N3O4S/c1-12(2)13-10-19(11-14(13)17-24(3,22)23)16(21)7-9-18-8-5-4-6-15(18)20/h4-6,8,12-14,17H,7,9-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyUBLYTHBREAWPNW-UONOGXRCSA-N
MW355.46 g/mol
LogP0.27
Rot. Bonds6

About N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70709757) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70709757
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C16H25N3O4S/c1-12(2)13-10-19(11-14(13)17-24(3,22)23)16(21)7-9-18-8-5-4-6-15(18)20/h4-6,8,12-14,17H,7,9-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyUBLYTHBREAWPNW-UONOGXRCSA-N
XLogP0.27
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 70709757) is N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is CC(C)[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UBLYTHBREAWPNW-UONOGXRCSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-12(2)13-10-19(11-14(13)17-24(3,22)23)16(21)7-9-18-8-5-4-6-15(18)20/h4-6,8,12-14,17H,7,9-11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 355.46 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 N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70709757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).