[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C10H16N4O3S — CID 168681781

IUPAC[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCn1ccnc1CN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C10H16N4O3S/c1-13-3-2-12-9(13)6-14-5-8(4-10(14)15)7-18(11,16)17/h2-3,8H,4-7H2,1H3,(H2,11,16,17)
InChIKeyUJLONCQYZHPGGE-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.94
Rot. Bonds4

About [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681781) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681781
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCn1ccnc1CN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C10H16N4O3S/c1-13-3-2-12-9(13)6-14-5-8(4-10(14)15)7-18(11,16)17/h2-3,8H,4-7H2,1H3,(H2,11,16,17)
InChIKeyUJLONCQYZHPGGE-UHFFFAOYSA-N
XLogP-0.94
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

S-[[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667456
[5-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681233
[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680812
[5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682169
[1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680933
[1-[2-(1,3-oxazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682022
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681654
[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682162
[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682163
[1-(2-isoquinolin-1-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682033

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681781) is [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is Cn1ccnc1CN1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UJLONCQYZHPGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-13-3-2-12-9(13)6-14-5-8(4-10(14)15)7-18(11,16)17/h2-3,8H,4-7H2,1H3,(H2,11,16,17).
What are the key properties of [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).