N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C15H25N3O2S — CID 104773857

IUPACN-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCN(C)CCCCNS(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H25N3O2S/c1-18(2)12-4-3-11-17-21(19,20)15-9-5-8-14-13(15)7-6-10-16-14/h5,8-9,16-17H,3-4,6-7,10-12H2,1-2H3
InChIKeyOQBPFWYSFNERDD-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.66
Rot. Bonds7

About N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide

N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 104773857) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID104773857
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCN(C)CCCCNS(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H25N3O2S/c1-18(2)12-4-3-11-17-21(19,20)15-9-5-8-14-13(15)7-6-10-16-14/h5,8-9,16-17H,3-4,6-7,10-12H2,1-2H3
InChIKeyOQBPFWYSFNERDD-UHFFFAOYSA-N
XLogP1.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.66
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

N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773691
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850086
N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773710
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773905
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773789
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773743
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
5-propan-2-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 135388396
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773741
3-(aminomethyl)-N-[4-(dimethylamino)butyl]-2-methylbenzenesulfonamide
CID 106051784
N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773900

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 104773857) is N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide is CN(C)CCCCNS(=O)(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is OQBPFWYSFNERDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-18(2)12-4-3-11-17-21(19,20)15-9-5-8-14-13(15)7-6-10-16-14/h5,8-9,16-17H,3-4,6-7,10-12H2,1-2H3.
What are the key properties of N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 104773857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).