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

C15H24N4O5S — CID 70771075

IUPACN-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H24N4O5S/c1-10(2)11-8-19(9-12(11)17-25(3,23)24)14(21)5-7-18-6-4-13(20)16-15(18)22/h4,6,10-12,17H,5,7-9H2,1-3H3,(H,16,20,22)/t11-,12+/m0/s1
InChIKeyQFDLLSVFEAEEKI-NWDGAFQWSA-N
MW372.45 g/mol
LogP-1.04
Rot. Bonds6

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

N-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70771075) has the molecular formula C15H24N4O5S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70771075
Molecular FormulaC15H24N4O5S
Molecular Weight372.45 g/mol
Exact Mass372.15
IUPAC NameN-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H24N4O5S/c1-10(2)11-8-19(9-12(11)17-25(3,23)24)14(21)5-7-18-6-4-13(20)16-15(18)22/h4,6,10-12,17H,5,7-9H2,1-3H3,(H,16,20,22)/t11-,12+/m0/s1
InChIKeyQFDLLSVFEAEEKI-NWDGAFQWSA-N
XLogP-1.04
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 70771075) is N-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is CC(C)[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is QFDLLSVFEAEEKI-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N4O5S/c1-10(2)11-8-19(9-12(11)17-25(3,23)24)14(21)5-7-18-6-4-13(20)16-15(18)22/h4,6,10-12,17H,5,7-9H2,1-3H3,(H,16,20,22)/t11-,12+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of -1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70771075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).