6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine

C12H18N4O2S — CID 103764691

IUPAC6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
SMILESCc1nc(NCCN2CCSCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2S/c1-10-11(16(17)18)2-3-12(14-10)13-4-5-15-6-8-19-9-7-15/h2-3H,4-9H2,1H3,(H,13,14)
InChIKeyXVAMESGDMNBHRI-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.76
Rot. Bonds5

About 6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine

6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine (PubChem CID 103764691) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
PubChem CID103764691
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
SMILESCc1nc(NCCN2CCSCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2S/c1-10-11(16(17)18)2-3-12(14-10)13-4-5-15-6-8-19-9-7-15/h2-3H,4-9H2,1H3,(H,13,14)
InChIKeyXVAMESGDMNBHRI-UHFFFAOYSA-N
XLogP1.76
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-nitro-N-(2-thiomorpholin-4-ylethyl)aniline
CID 106326087
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 79825482
6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 75426721
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine
CID 113234717
6-chloro-4-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103888685
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 115696993
2-N-methyl-5-nitro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327542
N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
CID 80765652
1,1-dimethyl-3-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]urea
CID 83113239
2-chloro-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106326663
6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
CID 80786129

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine (CID 103764691) is 6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine is Cc1nc(NCCN2CCSCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine?
The InChIKey is XVAMESGDMNBHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-10-11(16(17)18)2-3-12(14-10)13-4-5-15-6-8-19-9-7-15/h2-3H,4-9H2,1H3,(H,13,14).
What are the key properties of 6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine?
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine has a molecular weight of 282.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 103764691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).