N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C15H24N2O3S — CID 107200792

IUPACN-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H24N2O3S/c1-17(10-3-2-4-11-18)21(19,20)14-7-8-15-13(12-14)6-5-9-16-15/h7-8,12,16,18H,2-6,9-11H2,1H3
InChIKeyHPULSJUOYDUUOM-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.83
Rot. Bonds7

About N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 107200792) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID107200792
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H24N2O3S/c1-17(10-3-2-4-11-18)21(19,20)14-7-8-15-13(12-14)6-5-9-16-15/h7-8,12,16,18H,2-6,9-11H2,1H3
InChIKeyHPULSJUOYDUUOM-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(Pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinoline
CID 7064100
1,2,3,4-Tetrahydroquinoline-6-sulfonamide
CID 16227153
1,2,3,4-Tetrahydro-6-(1-piperidinylsulfonyl)quinoline
CID 7064078
1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3239207
1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3243437
N,N-Dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 221211
4-isopropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 2874832
N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43119853
N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 46848494
N-propyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 17608921
n,n-Diethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 221217
4,4-Dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide hydrochloride
CID 146082550

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 107200792) is N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is CN(CCCCCO)S(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is HPULSJUOYDUUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-17(10-3-2-4-11-18)21(19,20)14-7-8-15-13(12-14)6-5-9-16-15/h7-8,12,16,18H,2-6,9-11H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 107200792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).