N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C15H24N4O5S — CID 70706988

IUPACN-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1cn(CC(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O5S/c1-9(2)11-6-18(7-12(11)17-25(4,23)24)13(20)8-19-5-10(3)14(21)16-15(19)22/h5,9,11-12,17H,6-8H2,1-4H3,(H,16,21,22)/t11-,12+/m0/s1
InChIKeyMTYXNXKDOBUGKA-NWDGAFQWSA-N
MW372.45 g/mol
LogP-1.12
Rot. Bonds5

About N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70706988) has the molecular formula C15H24N4O5S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70706988
Molecular FormulaC15H24N4O5S
Molecular Weight372.45 g/mol
Exact Mass372.15
IUPAC NameN-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1cn(CC(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O5S/c1-9(2)11-6-18(7-12(11)17-25(4,23)24)13(20)8-19-5-10(3)14(21)16-15(19)22/h5,9,11-12,17H,6-8H2,1-4H3,(H,16,21,22)/t11-,12+/m0/s1
InChIKeyMTYXNXKDOBUGKA-NWDGAFQWSA-N
XLogP-1.12
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 5-1.12
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-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 70706988) is N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is Cc1cn(CC(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)c(=O)[nH]c1=O.
What is the InChIKey of N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is MTYXNXKDOBUGKA-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N4O5S/c1-9(2)11-6-18(7-12(11)17-25(4,23)24)13(20)8-19-5-10(3)14(21)16-15(19)22/h5,9,11-12,17H,6-8H2,1-4H3,(H,16,21,22)/t11-,12+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70706988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).