S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine

C11H13N3S — CID 143852851

IUPACS-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine
SMILESCN(Cc1ccc2ccccc2n1)SN
InChIInChI=1S/C11H13N3S/c1-14(15-12)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-7H,8,12H2,1H3
InChIKeyDKQSPNUAZHJTHU-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.19
Rot. Bonds3

About S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine

S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine (PubChem CID 143852851) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine.

Molecular Properties

Compound NameS-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine
PubChem CID143852851
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameS-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine
SMILESCN(Cc1ccc2ccccc2n1)SN
InChIInChI=1S/C11H13N3S/c1-14(15-12)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-7H,8,12H2,1H3
InChIKeyDKQSPNUAZHJTHU-UHFFFAOYSA-N
XLogP2.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine
CID 74539424
4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
CID 79112911
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
2-[[methyl(methylsulfanylsulfonyl)amino]methyl]quinoline
CID 163659230
2-methyl-1-[methyl(quinolin-2-ylmethyl)amino]propan-2-ol
CID 78995605
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
CID 139172571
N'-hydroxy-3-[methyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 43209629
1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
CID 86023570
3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide
CID 131961761

Frequently Asked Questions

What is the IUPAC name of S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine?
The IUPAC name of S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine (CID 143852851) is S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine.
What is the SMILES notation for S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine?
The canonical SMILES for S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine is CN(Cc1ccc2ccccc2n1)SN.
What is the InChIKey of S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine?
The InChIKey is DKQSPNUAZHJTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-14(15-12)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-7H,8,12H2,1H3.
What are the key properties of S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine?
S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine has a molecular weight of 219.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine is sourced from PubChem (CID 143852851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).