6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide

C16H22N4OS — CID 143593067

IUPAC6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide
SMILESCc1cc(NC(=O)CCCCCNSN)c2ccccc2n1
InChIInChI=1S/C16H22N4OS/c1-12-11-15(13-7-4-5-8-14(13)19-12)20-16(21)9-3-2-6-10-18-22-17/h4-5,7-8,11,18H,2-3,6,9-10,17H2,1H3,(H,19,20,21)
InChIKeyKQVJZKPBOOJMEP-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.15
Rot. Bonds8

About 6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide

6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide (PubChem CID 143593067) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide.

Molecular Properties

Compound Name6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide
PubChem CID143593067
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide
SMILESCc1cc(NC(=O)CCCCCNSN)c2ccccc2n1
InChIInChI=1S/C16H22N4OS/c1-12-11-15(13-7-4-5-8-14(13)19-12)20-16(21)9-3-2-6-10-18-22-17/h4-5,7-8,11,18H,2-3,6,9-10,17H2,1H3,(H,19,20,21)
InChIKeyKQVJZKPBOOJMEP-UHFFFAOYSA-N
XLogP3.15
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629143
3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
CID 62833896
N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 75526048
bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide
CID 161051819
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
N-[2-(dimethylamino)quinolin-4-yl]decanamide
CID 5168839
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide
CID 44596231
5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 104683446

Frequently Asked Questions

What is the IUPAC name of 6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide?
The IUPAC name of 6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide (CID 143593067) is 6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide.
What is the SMILES notation for 6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide?
The canonical SMILES for 6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide is Cc1cc(NC(=O)CCCCCNSN)c2ccccc2n1.
What is the InChIKey of 6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide?
The InChIKey is KQVJZKPBOOJMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-11-15(13-7-4-5-8-14(13)19-12)20-16(21)9-3-2-6-10-18-22-17/h4-5,7-8,11,18H,2-3,6,9-10,17H2,1H3,(H,19,20,21).
What are the key properties of 6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide?
6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide has a molecular weight of 318.45 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide is sourced from PubChem (CID 143593067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).