N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide

C13H21FN2O3S — CID 140917573

IUPACN-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide
SMILESO=C1C[C@@H](NS(=O)(=O)C2CCCC(F)C2)CN1C1CC1
InChIInChI=1S/C13H21FN2O3S/c14-9-2-1-3-12(6-9)20(18,19)15-10-7-13(17)16(8-10)11-4-5-11/h9-12,15H,1-8H2/t9?,10-,12?/m1/s1
InChIKeyRCFUXMUJJUPHNB-SQLBVSGCSA-N
MW304.39 g/mol
LogP0.95
Rot. Bonds4

About N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide

N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide (PubChem CID 140917573) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide
PubChem CID140917573
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC NameN-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide
SMILESO=C1C[C@@H](NS(=O)(=O)C2CCCC(F)C2)CN1C1CC1
InChIInChI=1S/C13H21FN2O3S/c14-9-2-1-3-12(6-9)20(18,19)15-10-7-13(17)16(8-10)11-4-5-11/h9-12,15H,1-8H2/t9?,10-,12?/m1/s1
InChIKeyRCFUXMUJJUPHNB-SQLBVSGCSA-N
XLogP0.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide
CID 138046916
3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
CID 146105210
1-(2-Aminocyclohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713053
1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713059
1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713062
1-[3-(Cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714791
1-[3-(Cyclohexylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714819
N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide
CID 71789166
2-[(1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
CID 43637629
3-[(1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]propane-1-sulfonamide
CID 61883950
2-[3-(Cyclopropylamino)-2-oxopyrrolidin-1-yl]ethanesulfonamide
CID 64239797
3-[3-(Cyclopropylamino)-2-oxopyrrolidin-1-yl]propane-1-sulfonamide
CID 64246879

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide?
The IUPAC name of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide (CID 140917573) is N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide.
What is the SMILES notation for N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide?
The canonical SMILES for N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide is O=C1C[C@@H](NS(=O)(=O)C2CCCC(F)C2)CN1C1CC1.
What is the InChIKey of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide?
The InChIKey is RCFUXMUJJUPHNB-SQLBVSGCSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c14-9-2-1-3-12(6-9)20(18,19)15-10-7-13(17)16(8-10)11-4-5-11/h9-12,15H,1-8H2/t9?,10-,12?/m1/s1.
What are the key properties of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide?
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide is sourced from PubChem (CID 140917573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).