N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine

C12H20N2O2S — CID 114598752

IUPACN-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine
SMILESCCC(Nc1ncccc1S(C)(=O)=O)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-5-10(9(2)3)14-12-11(17(4,15)16)7-6-8-13-12/h6-10H,5H2,1-4H3,(H,13,14)
InChIKeyUDZRFHLSRZRFMQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.33
Rot. Bonds5

About N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine

N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine (PubChem CID 114598752) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine
PubChem CID114598752
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine
SMILESCCC(Nc1ncccc1S(C)(=O)=O)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-5-10(9(2)3)14-12-11(17(4,15)16)7-6-8-13-12/h6-10H,5H2,1-4H3,(H,13,14)
InChIKeyUDZRFHLSRZRFMQ-UHFFFAOYSA-N
XLogP2.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 114598966
N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598927
N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598753
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
CID 114598760
4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 114600179
N-(2-methylpentan-3-yl)-3-propan-2-yloxypyridin-2-amine
CID 113370845
N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine
CID 114598897
N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine
CID 114599099
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 114598664
2-methyl-6-[(3-methylsulfonyl-2-pyridinyl)amino]heptanoic acid
CID 114598305

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine (CID 114598752) is N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine is CCC(Nc1ncccc1S(C)(=O)=O)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine?
The InChIKey is UDZRFHLSRZRFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-10(9(2)3)14-12-11(17(4,15)16)7-6-8-13-12/h6-10H,5H2,1-4H3,(H,13,14).
What are the key properties of N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine?
N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine has a molecular weight of 256.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114598752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).