6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine

C10H14N4O4S2 — CID 80850394

IUPAC6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine
SMILESCS(=O)(=O)C1CSCCN1c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4S2/c1-20(17,18)9-6-19-5-4-13(9)10-7(14(15)16)2-3-8(11)12-10/h2-3,9H,4-6H2,1H3,(H2,11,12)
InChIKeyDWZDGBFMUDVJKZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.50
Rot. Bonds3

About 6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine

6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine (PubChem CID 80850394) has the molecular formula C10H14N4O4S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine
PubChem CID80850394
Molecular FormulaC10H14N4O4S2
Molecular Weight318.38 g/mol
Exact Mass318.05
IUPAC Name6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine
SMILESCS(=O)(=O)C1CSCCN1c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4S2/c1-20(17,18)9-6-19-5-4-13(9)10-7(14(15)16)2-3-8(11)12-10/h2-3,9H,4-6H2,1H3,(H2,11,12)
InChIKeyDWZDGBFMUDVJKZ-UHFFFAOYSA-N
XLogP0.50
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

3-(3-methylsulfonylthiomorpholin-4-yl)-2-nitroaniline
CID 80850470
6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
CID 80648375
4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine
CID 79915838
2-(3-methylsulfonylthiomorpholin-4-yl)-5-nitrobenzaldehyde
CID 66382988
4-(6-bromo-2-pyridinyl)-3-methylsulfonylthiomorpholine
CID 66383475
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine
CID 80775290
5-methylsulfonyl-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 66383352
2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 66382584
5-nitro-6-piperazin-1-ylpyridin-2-amine
CID 80837104
4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine
CID 66382775
N-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)-2-nitroaniline
CID 80834373
6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718841

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine?
The IUPAC name of 6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine (CID 80850394) is 6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine is CS(=O)(=O)C1CSCCN1c1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine?
The InChIKey is DWZDGBFMUDVJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S2/c1-20(17,18)9-6-19-5-4-13(9)10-7(14(15)16)2-3-8(11)12-10/h2-3,9H,4-6H2,1H3,(H2,11,12).
What are the key properties of 6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine?
6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine has a molecular weight of 318.38 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 80850394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).