4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine

C17H22FN3O3S — CID 126789845

IUPAC4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine
SMILESO=S(=O)(c1c[nH]c2cccc(F)c12)N1CCCC1CN1CCOCC1
InChIInChI=1S/C17H22FN3O3S/c18-14-4-1-5-15-17(14)16(11-19-15)25(22,23)21-6-2-3-13(21)12-20-7-9-24-10-8-20/h1,4-5,11,13,19H,2-3,6-10,12H2
InChIKeyMCTUJAPDTBVCEJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.79
Rot. Bonds4

About 4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine

4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine (PubChem CID 126789845) has the molecular formula C17H22FN3O3S and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine
PubChem CID126789845
Molecular FormulaC17H22FN3O3S
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC Name4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine
SMILESO=S(=O)(c1c[nH]c2cccc(F)c12)N1CCCC1CN1CCOCC1
InChIInChI=1S/C17H22FN3O3S/c18-14-4-1-5-15-17(14)16(11-19-15)25(22,23)21-6-2-3-13(21)12-20-7-9-24-10-8-20/h1,4-5,11,13,19H,2-3,6-10,12H2
InChIKeyMCTUJAPDTBVCEJ-UHFFFAOYSA-N
XLogP1.79
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine
CID 70758711
4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 71916159
(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 141334069
1-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79545883
2-(3-bromopropyl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 80674099
(4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone
CID 138035341
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
2-(bromomethyl)-1-(2-fluorophenyl)sulfonylazepane
CID 116639734
1-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990956
N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide
CID 51567796
(1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol
CID 97239642
4-[[4-(3,5-difluorophenyl)sulfonyl-1,4-thiazepan-3-yl]methyl]morpholine
CID 71801925

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine (CID 126789845) is 4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine is O=S(=O)(c1c[nH]c2cccc(F)c12)N1CCCC1CN1CCOCC1.
What is the InChIKey of 4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is MCTUJAPDTBVCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3S/c18-14-4-1-5-15-17(14)16(11-19-15)25(22,23)21-6-2-3-13(21)12-20-7-9-24-10-8-20/h1,4-5,11,13,19H,2-3,6-10,12H2.
What are the key properties of 4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine?
4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 367.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 126789845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).