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

C10H14FN3O3S — CID 168676294

IUPAC[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1ccnc1CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H14FN3O3S/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
InChIKeySJJQIFONTAAHBC-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.07
Rot. Bonds4

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

[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676294) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676294
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1ccnc1CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H14FN3O3S/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
InChIKeySJJQIFONTAAHBC-UHFFFAOYSA-N
XLogP0.07
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 118739605
CID 118739605
CID 56451277
CID 56451277
CID 78898575
CID 78898575
CID 132345905
CID 132345905
CID 166263491
CID 166263491
CID 168674878
CID 168674878
CID 168676270
CID 168676270
CID 168676296
CID 168676296
CID 168676429
CID 168676429
CID 168676545
CID 168676545
CID 168676553
CID 168676553
CID 168676702
CID 168676702

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676294) is [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cn1ccnc1CN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is SJJQIFONTAAHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/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.
What are the key properties of [1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 275.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 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]methanesulfonyl fluoride is sourced from PubChem (CID 168676294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).