2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine

C10H14N4O2S — CID 80783006

IUPAC2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
SMILESCN(c1nc(N)ccc1[N+](=O)[O-])C1CCSC1
InChIInChI=1S/C10H14N4O2S/c1-13(7-4-5-17-6-7)10-8(14(15)16)2-3-9(11)12-10/h2-3,7H,4-6H2,1H3,(H2,11,12)
InChIKeyYXADQSDOYWASDP-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.51
Rot. Bonds3

About 2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine

2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine (PubChem CID 80783006) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
PubChem CID80783006
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
SMILESCN(c1nc(N)ccc1[N+](=O)[O-])C1CCSC1
InChIInChI=1S/C10H14N4O2S/c1-13(7-4-5-17-6-7)10-8(14(15)16)2-3-9(11)12-10/h2-3,7H,4-6H2,1H3,(H2,11,12)
InChIKeyYXADQSDOYWASDP-UHFFFAOYSA-N
XLogP1.51
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.51
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

2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
CID 80820849
2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
CID 80767596
4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 81136058
3-amino-N-methyl-4-nitro-N-(thiolan-3-yl)benzamide
CID 62682848
6-hydrazinyl-N-methyl-3-nitro-N-(oxolan-3-yl)pyridin-2-amine
CID 82747704
6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine
CID 61447300
2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638
2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide
CID 80806821
6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine
CID 80850394
2-N-methyl-3-nitro-2-N-pentan-2-ylpyridine-2,6-diamine
CID 80793650
8-N-methyl-8-N-(thiolan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80782500
2-N-methyl-2-N-(4-methylpentan-2-yl)-3-nitropyridine-2,6-diamine
CID 80809884

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine (CID 80783006) is 2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine is CN(c1nc(N)ccc1[N+](=O)[O-])C1CCSC1.
What is the InChIKey of 2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine?
The InChIKey is YXADQSDOYWASDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-13(7-4-5-17-6-7)10-8(14(15)16)2-3-9(11)12-10/h2-3,7H,4-6H2,1H3,(H2,11,12).
What are the key properties of 2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine?
2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine has a molecular weight of 254.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine is sourced from PubChem (CID 80783006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).