N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide

C16H26N2O3S — CID 128975380

IUPACN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide
SMILESCO[C@H]1C[C@@H](CN(C)S(=O)(=O)CCc2ccccc2)N(C)C1
InChIInChI=1S/C16H26N2O3S/c1-17-13-16(21-3)11-15(17)12-18(2)22(19,20)10-9-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16-/m0/s1
InChIKeyKRFXXYWPAMYSMT-HOTGVXAUSA-N
MW326.46 g/mol
LogP1.21
Rot. Bonds7

About N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide (PubChem CID 128975380) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide
PubChem CID128975380
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide
SMILESCO[C@H]1C[C@@H](CN(C)S(=O)(=O)CCc2ccccc2)N(C)C1
InChIInChI=1S/C16H26N2O3S/c1-17-13-16(21-3)11-15(17)12-18(2)22(19,20)10-9-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16-/m0/s1
InChIKeyKRFXXYWPAMYSMT-HOTGVXAUSA-N
XLogP1.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide 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

2-ethyl-5-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylsulfamoyl]benzoic acid
CID 167992227
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 128975358
2-cyano-4-fluoro-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 128975385
N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide
CID 110753480
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide
CID 128981996
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-4-(2-methoxyphenyl)-N,3-dimethylbut-2-enamide
CID 154796308
N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide
CID 110669403
3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one
CID 128981506
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine
CID 128979219
methyl 3-[methyl(2-phenylethylsulfonyl)amino]propanoate
CID 54942207
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 128981937
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 128981958

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide?
The IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide (CID 128975380) is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide.
What is the SMILES notation for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide?
The canonical SMILES for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide is CO[C@H]1C[C@@H](CN(C)S(=O)(=O)CCc2ccccc2)N(C)C1.
What is the InChIKey of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide?
The InChIKey is KRFXXYWPAMYSMT-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-17-13-16(21-3)11-15(17)12-18(2)22(19,20)10-9-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide?
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide is sourced from PubChem (CID 128975380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).