3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

C17H28N2O3S — CID 166615472

IUPAC3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCOc1ccc(CC2CCN(CCCS(=O)(=O)N(C)C)C2)cc1
InChIInChI=1S/C17H28N2O3S/c1-18(2)23(20,21)12-4-10-19-11-9-16(14-19)13-15-5-7-17(22-3)8-6-15/h5-8,16H,4,9-14H2,1-3H3
InChIKeyKMRXCLVNCGRYGI-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.84
Rot. Bonds8

About 3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 166615472) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID166615472
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCOc1ccc(CC2CCN(CCCS(=O)(=O)N(C)C)C2)cc1
InChIInChI=1S/C17H28N2O3S/c1-18(2)23(20,21)12-4-10-19-11-9-16(14-19)13-15-5-7-17(22-3)8-6-15/h5-8,16H,4,9-14H2,1-3H3
InChIKeyKMRXCLVNCGRYGI-UHFFFAOYSA-N
XLogP1.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]pentanoate
CID 166613684
3-[[1-[3-(dimethylsulfamoyl)propyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 72896647
2-[[1-[3-(dimethylsulfamoyl)propyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 169410782
4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931792
2-[[1-[3-(dimethylsulfamoyl)propyl]pyrrolidin-3-yl]methyl]benzoic acid;formic acid
CID 171709946
3-[4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 56521181
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
[4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol
CID 86283431
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (CID 166615472) is 3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is COc1ccc(CC2CCN(CCCS(=O)(=O)N(C)C)C2)cc1.
What is the InChIKey of 3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is KMRXCLVNCGRYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-18(2)23(20,21)12-4-10-19-11-9-16(14-19)13-15-5-7-17(22-3)8-6-15/h5-8,16H,4,9-14H2,1-3H3.
What are the key properties of 3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 340.49 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 166615472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).