N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide

C17H22N2O3S — CID 94139160

IUPACN,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCC[C@H]2c2ccccc2)o1
InChIInChI=1S/C17H22N2O3S/c1-18(2)23(20,21)17-11-10-15(22-17)13-19-12-6-9-16(19)14-7-4-3-5-8-14/h3-5,7-8,10-11,16H,6,9,12-13H2,1-2H3/t16-/m0/s1
InChIKeyMHEXCCDKDJNUIL-INIZCTEOSA-N
MW334.44 g/mol
LogP2.87
Rot. Bonds5

About N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide

N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide (PubChem CID 94139160) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide
PubChem CID94139160
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCC[C@H]2c2ccccc2)o1
InChIInChI=1S/C17H22N2O3S/c1-18(2)23(20,21)17-11-10-15(22-17)13-19-12-6-9-16(19)14-7-4-3-5-8-14/h3-5,7-8,10-11,16H,6,9,12-13H2,1-2H3/t16-/m0/s1
InChIKeyMHEXCCDKDJNUIL-INIZCTEOSA-N
XLogP2.87
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 111111607
2-(3,5-dimethylphenyl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine
CID 86952087
5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 110899350
5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 94139145
5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55731165
3-chloro-4-methoxy-N,N-dimethyl-5-[5-[[(2R)-2-phenylazepan-1-yl]methyl]-1H-pyrrol-2-yl]benzenesulfonamide
CID 57162050
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine
CID 55506302
5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide
CID 47056598
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669
5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 56895270
5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 56899649

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide (CID 94139160) is N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CN2CCC[C@H]2c2ccccc2)o1.
What is the InChIKey of N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide?
The InChIKey is MHEXCCDKDJNUIL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-18(2)23(20,21)17-11-10-15(22-17)13-19-12-6-9-16(19)14-7-4-3-5-8-14/h3-5,7-8,10-11,16H,6,9,12-13H2,1-2H3/t16-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide?
N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide is sourced from PubChem (CID 94139160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).