6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine

C10H14N4O2S — CID 114071187

IUPAC6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine
SMILESCC1CSCCN1c1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C10H14N4O2S/c1-7-6-17-3-2-13(7)10-5-8(14(15)16)4-9(11)12-10/h4-5,7H,2-3,6H2,1H3,(H2,11,12)
InChIKeyLGOGJCWHTKVJSF-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.51
Rot. Bonds2

About 6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine

6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine (PubChem CID 114071187) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine
PubChem CID114071187
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine
SMILESCC1CSCCN1c1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C10H14N4O2S/c1-7-6-17-3-2-13(7)10-5-8(14(15)16)4-9(11)12-10/h4-5,7H,2-3,6H2,1H3,(H2,11,12)
InChIKeyLGOGJCWHTKVJSF-UHFFFAOYSA-N
XLogP1.51
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
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

5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine
CID 80652917
N-methyl-2-methylsulfanyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80835888
4-(6-chloro-4-nitro-2-pyridinyl)-1,4-thiazepane
CID 103886479
2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile
CID 114766322
4-methyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835884
N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80836054
3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine
CID 102758460
6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718841
3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline
CID 106890449
(2,3-dichloro-5-nitrophenyl)-(3-methylthiomorpholin-4-yl)methanone
CID 107188928
3-methyl-4-pyrazin-2-ylthiomorpholine
CID 131155886
6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine
CID 80850394

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine?
The IUPAC name of 6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine (CID 114071187) is 6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine?
The canonical SMILES for 6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine is CC1CSCCN1c1cc([N+](=O)[O-])cc(N)n1.
What is the InChIKey of 6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine?
The InChIKey is LGOGJCWHTKVJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-7-6-17-3-2-13(7)10-5-8(14(15)16)4-9(11)12-10/h4-5,7H,2-3,6H2,1H3,(H2,11,12).
What are the key properties of 6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine?
6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine has a molecular weight of 254.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylthiomorpholin-4-yl)-4-nitropyridin-2-amine is sourced from PubChem (CID 114071187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).