[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol

C16H20N2O3S — CID 110892063

IUPAC[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol
SMILESCc1cnc2c(S(=O)(=O)N3CCCC(CO)C3)cccc2c1
InChIInChI=1S/C16H20N2O3S/c1-12-8-14-5-2-6-15(16(14)17-9-12)22(20,21)18-7-3-4-13(10-18)11-19/h2,5-6,8-9,13,19H,3-4,7,10-11H2,1H3
InChIKeyNHJOHFPWVCDNHE-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.94
Rot. Bonds3

About [1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol

[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol (PubChem CID 110892063) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is [1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol
PubChem CID110892063
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol
SMILESCc1cnc2c(S(=O)(=O)N3CCCC(CO)C3)cccc2c1
InChIInChI=1S/C16H20N2O3S/c1-12-8-14-5-2-6-15(16(14)17-9-12)22(20,21)18-7-3-4-13(10-18)11-19/h2,5-6,8-9,13,19H,3-4,7,10-11H2,1H3
InChIKeyNHJOHFPWVCDNHE-UHFFFAOYSA-N
XLogP1.94
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline
CID 36506249
N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 124684923
2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
CID 42939516
[(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol
CID 128975070
N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 46444315
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
CID 120714217
N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 33346978
3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 167832851
3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline
CID 146130519
3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 37088720
3-methyl-8-(4-prop-2-ynylpiperazin-1-yl)sulfonylquinoline
CID 86989080

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol (CID 110892063) is [1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol is Cc1cnc2c(S(=O)(=O)N3CCCC(CO)C3)cccc2c1.
What is the InChIKey of [1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is NHJOHFPWVCDNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-8-14-5-2-6-15(16(14)17-9-12)22(20,21)18-7-3-4-13(10-18)11-19/h2,5-6,8-9,13,19H,3-4,7,10-11H2,1H3.
What are the key properties of [1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol?
[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 320.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 110892063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).