N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide

C16H26N2O3S — CID 95249606

IUPACN-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCC[C@H]1Cc1ccccc1OC
InChIInChI=1S/C16H26N2O3S/c1-3-22(19,20)17-10-12-18-11-6-8-15(18)13-14-7-4-5-9-16(14)21-2/h4-5,7,9,15,17H,3,6,8,10-13H2,1-2H3/t15-/m0/s1
InChIKeyUZHAUUFYUQKUOI-HNNXBMFYSA-N
MW326.46 g/mol
LogP1.64
Rot. Bonds8

About N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide

N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide (PubChem CID 95249606) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide
PubChem CID95249606
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCC[C@H]1Cc1ccccc1OC
InChIInChI=1S/C16H26N2O3S/c1-3-22(19,20)17-10-12-18-11-6-8-15(18)13-14-7-4-5-9-16(14)21-2/h4-5,7,9,15,17H,3,6,8,10-13H2,1-2H3/t15-/m0/s1
InChIKeyUZHAUUFYUQKUOI-HNNXBMFYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 90608952
2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 136579692
4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine
CID 71935520
(2S)-1-[[(4S)-1,3-dioxan-4-yl]methyl]-2-[(2-methoxyphenyl)methyl]pyrrolidine
CID 97317603
1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine
CID 48936290
4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021378
(2S)-2-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 97000881
N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide
CID 129330745
N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 56789870
2-amino-3-methoxy-1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 120987971
2-(cyclopropylmethylamino)-1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119758349
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide (CID 95249606) is N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCN1CCC[C@H]1Cc1ccccc1OC.
What is the InChIKey of N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The InChIKey is UZHAUUFYUQKUOI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-22(19,20)17-10-12-18-11-6-8-15(18)13-14-7-4-5-9-16(14)21-2/h4-5,7,9,15,17H,3,6,8,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 95249606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).