3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide

C19H27N3O2S — CID 86804960

IUPAC3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC(C)CN3CCCC(C)C3)cccc2c1
InChIInChI=1S/C19H27N3O2S/c1-14-6-5-9-22(12-14)13-16(3)21-25(23,24)18-8-4-7-17-10-15(2)11-20-19(17)18/h4,7-8,10-11,14,16,21H,5-6,9,12-13H2,1-3H3
InChIKeyDOANCMYCYVZVON-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.94
Rot. Bonds5

About 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide

3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide (PubChem CID 86804960) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide
PubChem CID86804960
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC(C)CN3CCCC(C)C3)cccc2c1
InChIInChI=1S/C19H27N3O2S/c1-14-6-5-9-22(12-14)13-16(3)21-25(23,24)18-8-4-7-17-10-15(2)11-20-19(17)18/h4,7-8,10-11,14,16,21H,5-6,9,12-13H2,1-3H3
InChIKeyDOANCMYCYVZVON-UHFFFAOYSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide
CID 120585099
3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide
CID 129408262
3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
CID 94799039
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
CID 91662016
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide
CID 99793097
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline
CID 146130519
N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
CID 104981956
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
CID 53498011
(2R,4R)-1-[(2S)-5-amino-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
CID 163202955
[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol
CID 110892063

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide (CID 86804960) is 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NC(C)CN3CCCC(C)C3)cccc2c1.
What is the InChIKey of 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide?
The InChIKey is DOANCMYCYVZVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-14-6-5-9-22(12-14)13-16(3)21-25(23,24)18-8-4-7-17-10-15(2)11-20-19(17)18/h4,7-8,10-11,14,16,21H,5-6,9,12-13H2,1-3H3.
What are the key properties of 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide?
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide has a molecular weight of 361.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 86804960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).