N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine

C25H30N6O2S — CID 143592967

IUPACN-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine
SMILESCNc1cccc2cccnc12.NSNCCCCC(C=O)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H20N4O2S.C10H10N2/c16-22-18-7-2-1-3-13(10-20)19-15(21)12-5-4-11-6-8-17-14(11)9-12;1-11-9-6-2-4-8-5-3-7-12-10(8)9/h4-6,8-10,13,17-18H,1-3,7,16H2,(H,19,21);2-7,11H,1H3
InChIKeyJFIJXCKKFWLISU-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.02
Rot. Bonds10

About N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine

N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine (PubChem CID 143592967) has the molecular formula C25H30N6O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine.

Molecular Properties

Compound NameN-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine
PubChem CID143592967
Molecular FormulaC25H30N6O2S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC NameN-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine
SMILESCNc1cccc2cccnc12.NSNCCCCC(C=O)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H20N4O2S.C10H10N2/c16-22-18-7-2-1-3-13(10-20)19-15(21)12-5-4-11-6-8-17-14(11)9-12;1-11-9-6-2-4-8-5-3-7-12-10(8)9/h4-6,8-10,13,17-18H,1-3,7,16H2,(H,19,21);2-7,11H,1H3
InChIKeyJFIJXCKKFWLISU-UHFFFAOYSA-N
XLogP4.02
TPSA124.93 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine?
The IUPAC name of N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine (CID 143592967) is N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine.
What is the SMILES notation for N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine?
The canonical SMILES for N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine is CNc1cccc2cccnc12.NSNCCCCC(C=O)NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine?
The InChIKey is JFIJXCKKFWLISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.C10H10N2/c16-22-18-7-2-1-3-13(10-20)19-15(21)12-5-4-11-6-8-17-14(11)9-12;1-11-9-6-2-4-8-5-3-7-12-10(8)9/h4-6,8-10,13,17-18H,1-3,7,16H2,(H,19,21);2-7,11H,1H3.
What are the key properties of N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine?
N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine has a molecular weight of 478.62 g/mol, XLogP of 4.02, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine is sourced from PubChem (CID 143592967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).