N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide

C15H23FN2O3S — CID 91661909

IUPACN-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ccc(CCCN2CCC(NS(C)(=O)=O)C2)cc1F
InChIInChI=1S/C15H23FN2O3S/c1-21-15-6-5-12(10-14(15)16)4-3-8-18-9-7-13(11-18)17-22(2,19)20/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3
InChIKeyKDEIPVGEMDTNLL-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.39
Rot. Bonds7

About N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide

N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 91661909) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID91661909
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC NameN-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ccc(CCCN2CCC(NS(C)(=O)=O)C2)cc1F
InChIInChI=1S/C15H23FN2O3S/c1-21-15-6-5-12(10-14(15)16)4-3-8-18-9-7-13(11-18)17-22(2,19)20/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3
InChIKeyKDEIPVGEMDTNLL-UHFFFAOYSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 75439395
N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 97159828
4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 86804279
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55958260
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315157
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 58688933
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 118541883
[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 86804160

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide (CID 91661909) is N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide is COc1ccc(CCCN2CCC(NS(C)(=O)=O)C2)cc1F.
What is the InChIKey of N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is KDEIPVGEMDTNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-21-15-6-5-12(10-14(15)16)4-3-8-18-9-7-13(11-18)17-22(2,19)20/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide?
N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 91661909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).