N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C16H26N2O2S — CID 62117847

IUPACN-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1ccc(C)c2c1CCCN2
InChIInChI=1S/C16H26N2O2S/c1-4-7-13(5-2)18-21(19,20)15-10-9-12(3)16-14(15)8-6-11-17-16/h9-10,13,17-18H,4-8,11H2,1-3H3
InChIKeyUUQUUEPWMBHRON-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.21
Rot. Bonds6

About N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide

N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 62117847) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID62117847
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1ccc(C)c2c1CCCN2
InChIInChI=1S/C16H26N2O2S/c1-4-7-13(5-2)18-21(19,20)15-10-9-12(3)16-14(15)8-6-11-17-16/h9-10,13,17-18H,4-8,11H2,1-3H3
InChIKeyUUQUUEPWMBHRON-UHFFFAOYSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate
CID 83205594
N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 60999425
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
CID 106055431
N-hexan-3-yl-2-hydrazinylbenzenesulfonamide
CID 62117288
3-amino-5-chloro-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 114379488
2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide
CID 106594380
2,5-dichloro-3-(hexan-3-ylsulfamoyl)benzoic acid
CID 62117802
N-[(2S)-5-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonyl]-5-azaspiro[2.4]heptan-2-yl]ethenesulfonamide
CID 148751900
4-amino-N-hexan-3-yl-2-nitrobenzenesulfonamide
CID 62145819
5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
CID 106055367
methyl 2-(hexan-3-ylsulfamoyl)benzoate
CID 103833550

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 62117847) is N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide is CCCC(CC)NS(=O)(=O)c1ccc(C)c2c1CCCN2.
What is the InChIKey of N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is UUQUUEPWMBHRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-7-13(5-2)18-21(19,20)15-10-9-12(3)16-14(15)8-6-11-17-16/h9-10,13,17-18H,4-8,11H2,1-3H3.
What are the key properties of N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 62117847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).