6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine

C11H16N4O2S — CID 114238626

IUPAC6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine
SMILESCSC1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C11H16N4O2S/c1-18-8-4-6-14(7-5-8)10-3-2-9(15(16)17)11(12)13-10/h2-3,8H,4-7H2,1H3,(H2,12,13)
InChIKeyBKUZISXTYNWJFO-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.90
Rot. Bonds3

About 6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine

6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine (PubChem CID 114238626) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine
PubChem CID114238626
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine
SMILESCSC1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C11H16N4O2S/c1-18-8-4-6-14(7-5-8)10-3-2-9(15(16)17)11(12)13-10/h2-3,8H,4-7H2,1H3,(H2,12,13)
InChIKeyBKUZISXTYNWJFO-UHFFFAOYSA-N
XLogP1.90
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.90
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

6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816167
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525
6-[4-(2-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816389
1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79825655
1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112627940
3-[1-(6-amino-5-nitro-2-pyridinyl)piperidin-4-yl]propanoic acid
CID 79826424
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718980
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718979
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-nitropyridin-2-amine
CID 113336387
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
CID 103577786
1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79827817
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine
CID 135154613

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine?
The IUPAC name of 6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine (CID 114238626) is 6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine is CSC1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1.
What is the InChIKey of 6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine?
The InChIKey is BKUZISXTYNWJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-18-8-4-6-14(7-5-8)10-3-2-9(15(16)17)11(12)13-10/h2-3,8H,4-7H2,1H3,(H2,12,13).
What are the key properties of 6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine?
6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine has a molecular weight of 268.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 114238626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).