[(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol

C16H20N2O4S — CID 138015263

IUPAC[(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc3c(N)cccc3c2)C1
InChIInChI=1S/C16H20N2O4S/c1-22-13-8-12(10-19)18(9-13)23(20,21)14-5-6-15-11(7-14)3-2-4-16(15)17/h2-7,12-13,19H,8-10,17H2,1H3/t12-,13-/m0/s1
InChIKeyXRNMUHBWMUBAQT-STQMWFEESA-N
MW336.41 g/mol
LogP1.19
Rot. Bonds4

About [(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol

[(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol (PubChem CID 138015263) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is [(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol
PubChem CID138015263
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name[(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc3c(N)cccc3c2)C1
InChIInChI=1S/C16H20N2O4S/c1-22-13-8-12(10-19)18(9-13)23(20,21)14-5-6-15-11(7-14)3-2-4-16(15)17/h2-7,12-13,19H,8-10,17H2,1H3/t12-,13-/m0/s1
InChIKeyXRNMUHBWMUBAQT-STQMWFEESA-N
XLogP1.19
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol 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-chloro-4-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 128975094
[(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol
CID 128975070
[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol
CID 57063024
(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734
(2S,4S)-1-(3,4-difluorophenyl)sulfonyl-4-methoxy-2-(methoxymethyl)pyrrolidine
CID 128975195
(2S,4R)-1-(benzenesulfonyl)-4-methoxy-2-(methoxymethyl)pyrrolidine
CID 128975294
methyl 1-[5-(dimethylamino)naphthalen-2-yl]sulfonylaziridine-2-carboxylate
CID 154726937
(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 128989393
[1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623937
ethyl 2-[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]acetate
CID 56994672
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718928

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol (CID 138015263) is [(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol is CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc3c(N)cccc3c2)C1.
What is the InChIKey of [(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol?
The InChIKey is XRNMUHBWMUBAQT-STQMWFEESA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-22-13-8-12(10-19)18(9-13)23(20,21)14-5-6-15-11(7-14)3-2-4-16(15)17/h2-7,12-13,19H,8-10,17H2,1H3/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol?
[(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol has a molecular weight of 336.41 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 138015263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).