N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide

C18H24N2O3S — CID 75433584

IUPACN-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide
SMILESCN(C1CCC(CO)CC1)S(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C18H24N2O3S/c1-20(17-9-7-14(12-21)8-10-17)24(22,23)13-16-5-2-4-15-6-3-11-19-18(15)16/h2-6,11,14,17,21H,7-10,12-13H2,1H3
InChIKeyBTCXZJBTVJOVDA-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.55
Rot. Bonds5

About N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide

N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide (PubChem CID 75433584) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide
PubChem CID75433584
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide
SMILESCN(C1CCC(CO)CC1)S(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C18H24N2O3S/c1-20(17-9-7-14(12-21)8-10-17)24(22,23)13-16-5-2-4-15-6-3-11-19-18(15)16/h2-6,11,14,17,21H,7-10,12-13H2,1H3
InChIKeyBTCXZJBTVJOVDA-UHFFFAOYSA-N
XLogP2.55
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide
CID 119982900
2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86903057
N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride
CID 119960786
2-[cyclopropyl(quinolin-8-ylmethyl)amino]ethanol
CID 60510570
1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
CID 79117135
N-(quinolin-8-ylmethylsulfonyl)cyclopropanecarboxamide
CID 155945521
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 129427598
trans-(1S,2S)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 96567800
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
8-(piperazin-1-ylsulfonylmethyl)quinoline
CID 119961854
N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 110726778

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide (CID 75433584) is N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide is CN(C1CCC(CO)CC1)S(=O)(=O)Cc1cccc2cccnc12.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide?
The InChIKey is BTCXZJBTVJOVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-20(17-9-7-14(12-21)8-10-17)24(22,23)13-16-5-2-4-15-6-3-11-19-18(15)16/h2-6,11,14,17,21H,7-10,12-13H2,1H3.
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide?
N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide is sourced from PubChem (CID 75433584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).