N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide

C15H21FN2O2S — CID 95188008

IUPACN-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCN(C/C=C/c2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O2S/c1-21(19,20)17-11-14-8-10-18(12-14)9-2-3-13-4-6-15(16)7-5-13/h2-7,14,17H,8-12H2,1H3/b3-2+/t14-/m0/s1
InChIKeyBNPPZSVYDOOAJF-HSWBROFVSA-N
MW312.41 g/mol
LogP1.71
Rot. Bonds6

About N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide

N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 95188008) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID95188008
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC NameN-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCN(C/C=C/c2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O2S/c1-21(19,20)17-11-14-8-10-18(12-14)9-2-3-13-4-6-15(16)7-5-13/h2-7,14,17H,8-12H2,1H3/b3-2+/t14-/m0/s1
InChIKeyBNPPZSVYDOOAJF-HSWBROFVSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide 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

3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine
CID 122158319
1-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 77081809
1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 99929236
N-(4-fluorophenyl)-4-(methanesulfonamidomethyl)-N-methylpiperidine-1-carboxamide
CID 126797872
(9aS)-2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95135254
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 50973037
3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide
CID 95190416
N-[[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95209422
4-ethyl-3-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50959679
N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 126797171
1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
CID 127264798
N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95205463

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide (CID 95188008) is N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCN(C/C=C/c2ccc(F)cc2)C1.
What is the InChIKey of N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is BNPPZSVYDOOAJF-HSWBROFVSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-21(19,20)17-11-14-8-10-18(12-14)9-2-3-13-4-6-15(16)7-5-13/h2-7,14,17H,8-12H2,1H3/b3-2+/t14-/m0/s1.
What are the key properties of N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 312.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95188008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).