N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide

C14H23N5O4S — CID 167871392

IUPACN-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
SMILESCCn1c(=O)cc(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)[nH]c1=O
InChIInChI=1S/C14H23N5O4S/c1-2-19-13(20)9-12(15-14(19)21)17-8-5-11(10-17)16-24(22,23)18-6-3-4-7-18/h9,11,16H,2-8,10H2,1H3,(H,15,21)/t11-/m1/s1
InChIKeyHOKVMJZARAWWTA-LLVKDONJSA-N
MW357.44 g/mol
LogP-0.93
Rot. Bonds5

About N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide

N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide (PubChem CID 167871392) has the molecular formula C14H23N5O4S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
PubChem CID167871392
Molecular FormulaC14H23N5O4S
Molecular Weight357.44 g/mol
Exact Mass357.15
IUPAC NameN-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
SMILESCCn1c(=O)cc(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)[nH]c1=O
InChIInChI=1S/C14H23N5O4S/c1-2-19-13(20)9-12(15-14(19)21)17-8-5-11(10-17)16-24(22,23)18-6-3-4-7-18/h9,11,16H,2-8,10H2,1H3,(H,15,21)/t11-/m1/s1
InChIKeyHOKVMJZARAWWTA-LLVKDONJSA-N
XLogP-0.93
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 146112985
3-ethyl-6-[(3S)-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 166331833
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
CID 94639342
3-methyl-6-[(3S)-3-[(1-phenylimidazol-2-yl)methylamino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 167814865
N-[4-(ethylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653572
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide
CID 55244528
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 42381458
N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
CID 95310247
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide (CID 167871392) is N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide is CCn1c(=O)cc(N2CC[C@@H](NS(=O)(=O)N3CCCC3)C2)[nH]c1=O.
What is the InChIKey of N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The InChIKey is HOKVMJZARAWWTA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5O4S/c1-2-19-13(20)9-12(15-14(19)21)17-8-5-11(10-17)16-24(22,23)18-6-3-4-7-18/h9,11,16H,2-8,10H2,1H3,(H,15,21)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 167871392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).