N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine

C12H18N2O2S — CID 114599099

IUPACN-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine
SMILESCC(Nc1ncccc1S(C)(=O)=O)C1CCC1
InChIInChI=1S/C12H18N2O2S/c1-9(10-5-3-6-10)14-12-11(17(2,15)16)7-4-8-13-12/h4,7-10H,3,5-6H2,1-2H3,(H,13,14)
InChIKeyVOXAYSSLXNDJBG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.09
Rot. Bonds4

About N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine

N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine (PubChem CID 114599099) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine
PubChem CID114599099
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine
SMILESCC(Nc1ncccc1S(C)(=O)=O)C1CCC1
InChIInChI=1S/C12H18N2O2S/c1-9(10-5-3-6-10)14-12-11(17(2,15)16)7-4-8-13-12/h4,7-10H,3,5-6H2,1-2H3,(H,13,14)
InChIKeyVOXAYSSLXNDJBG-UHFFFAOYSA-N
XLogP2.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine
CID 114598897
N-(1-cyclopentylethyl)-2-methylsulfonylaniline
CID 62631561
3-cyclopropyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanoic acid
CID 114598359
N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine
CID 114598752
N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 106544504
3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 114598966
N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
CID 62406132
N-(1-cyclobutylethyl)pyrimidin-2-amine
CID 115766758
N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598753
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598927
4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 114600179

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine (CID 114599099) is N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine is CC(Nc1ncccc1S(C)(=O)=O)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine?
The InChIKey is VOXAYSSLXNDJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(10-5-3-6-10)14-12-11(17(2,15)16)7-4-8-13-12/h4,7-10H,3,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine?
N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine has a molecular weight of 254.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114599099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).