[5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride

C10H19FN2O3S — CID 168675168

IUPAC[5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)NCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O3S/c1-8(2)12-3-4-13-6-9(5-10(13)14)7-17(11,15)16/h8-9,12H,3-7H2,1-2H3
InChIKeyCZFZOWLQNSLXDV-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.13
Rot. Bonds6

About [5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675168) has the molecular formula C10H19FN2O3S and a molecular weight of 266.34 g/mol. Its IUPAC name is [5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675168
Molecular FormulaC10H19FN2O3S
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Name[5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)NCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O3S/c1-8(2)12-3-4-13-6-9(5-10(13)14)7-17(11,15)16/h8-9,12H,3-7H2,1-2H3
InChIKeyCZFZOWLQNSLXDV-UHFFFAOYSA-N
XLogP0.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide
CID 75454845
N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
CID 95969047
N-({(2S,4S)-4-fluoro-1-[(methylsulfonyl)acetyl]pyrrolidin-2-yl}methyl)-2-methylpropanamide
CID 70706490
(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentane-1-sulfonyl fluoride
CID 71457379
N-[[4-fluoro-1-(2-methylsulfonylacetyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide
CID 77897325
2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
CID 138046943
4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
CID 139017735
[1-(2-Aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674649
[1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674655
[1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674658
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699
[1-(1-Aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674723

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675168) is [5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)NCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is CZFZOWLQNSLXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O3S/c1-8(2)12-3-4-13-6-9(5-10(13)14)7-17(11,15)16/h8-9,12H,3-7H2,1-2H3.
What are the key properties of [5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 266.34 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).