N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

C15H24N4O4S — CID 133123984

IUPACN-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)Cc2cnc(C)[nH]c2=O)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H24N4O4S/c1-4-5-11-8-19(9-13(11)18-24(3,22)23)14(20)6-12-7-16-10(2)17-15(12)21/h7,11,13,18H,4-6,8-9H2,1-3H3,(H,16,17,21)/t11-,13-/m1/s1
InChIKeySRAUIRCDXQSSHB-DGCLKSJQSA-N
MW356.45 g/mol
LogP-0.20
Rot. Bonds6

About N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 133123984) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID133123984
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)Cc2cnc(C)[nH]c2=O)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H24N4O4S/c1-4-5-11-8-19(9-13(11)18-24(3,22)23)14(20)6-12-7-16-10(2)17-15(12)21/h7,11,13,18H,4-6,8-9H2,1-3H3,(H,16,17,21)/t11-,13-/m1/s1
InChIKeySRAUIRCDXQSSHB-DGCLKSJQSA-N
XLogP-0.20
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R*,4S*)-4-isopropyl-1-(methylsulfonyl)-3-pyrrolidinyl]-2-(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetamide
CID 72845449
5-{2-[(3R*,4S*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]-2-oxoethyl}-2-methyl-4(3H)-pyrimidinone
CID 72851740
N-{(3R*,4S*)-1-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide
CID 72937848
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S,4R)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 133132141
5-[2-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 133134147
N-{(3S*,4R*)-1-[(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide
CID 136254140

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 133123984) is N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(C(=O)Cc2cnc(C)[nH]c2=O)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is SRAUIRCDXQSSHB-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-4-5-11-8-19(9-13(11)18-24(3,22)23)14(20)6-12-7-16-10(2)17-15(12)21/h7,11,13,18H,4-6,8-9H2,1-3H3,(H,16,17,21)/t11-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 133123984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).