[(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol

C16H20N2O4S — CID 128975070

IUPAC[(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cccc3cc(C)cnc23)C1
InChIInChI=1S/C16H20N2O4S/c1-11-6-12-4-3-5-15(16(12)17-8-11)23(20,21)18-9-14(22-2)7-13(18)10-19/h3-6,8,13-14,19H,7,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyGBBNRMCAQXERAF-KBPBESRZSA-N
MW336.41 g/mol
LogP1.31
Rot. Bonds4

About [(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol

[(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 128975070) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is [(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID128975070
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name[(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cccc3cc(C)cnc23)C1
InChIInChI=1S/C16H20N2O4S/c1-11-6-12-4-3-5-15(16(12)17-8-11)23(20,21)18-9-14(22-2)7-13(18)10-19/h3-6,8,13-14,19H,7,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyGBBNRMCAQXERAF-KBPBESRZSA-N
XLogP1.31
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol with MolForge

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Related Compounds

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N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 33346978
3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline
CID 62673138
8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride
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[(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol
CID 138015263
(4aR,8aS)-4-(3-methylquinolin-8-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 100890221
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
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N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 124684923
2-(4-chlorophenoxy)-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanone
CID 55615112
3-methyl-8-(4-prop-2-ynylpiperazin-1-yl)sulfonylquinoline
CID 86989080
3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
CID 60534583

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol (CID 128975070) is [(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol is CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cccc3cc(C)cnc23)C1.
What is the InChIKey of [(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is GBBNRMCAQXERAF-KBPBESRZSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-6-12-4-3-5-15(16(12)17-8-11)23(20,21)18-9-14(22-2)7-13(18)10-19/h3-6,8,13-14,19H,7,9-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of [(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 336.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 128975070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).