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

C13H20N2O2S — CID 114598897

IUPACN-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine
SMILESCC(Nc1ncccc1S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C13H20N2O2S/c1-10(11-6-3-4-7-11)15-13-12(18(2,16)17)8-5-9-14-13/h5,8-11H,3-4,6-7H2,1-2H3,(H,14,15)
InChIKeyAMNIHJUXZZYTSK-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.48
Rot. Bonds4

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

N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine (PubChem CID 114598897) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine
PubChem CID114598897
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine
SMILESCC(Nc1ncccc1S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C13H20N2O2S/c1-10(11-6-3-4-7-11)15-13-12(18(2,16)17)8-5-9-14-13/h5,8-11H,3-4,6-7H2,1-2H3,(H,14,15)
InChIKeyAMNIHJUXZZYTSK-UHFFFAOYSA-N
XLogP2.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine
CID 114599099
N-(1-cyclopentylethyl)-2-methylsulfonylaniline
CID 62631561
N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
CID 62406132
3-cyclopropyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanoic acid
CID 114598359
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine
CID 114598752
3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 114598966
N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598753
N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 114598974
3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide
CID 62631758
4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 114600179
N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine
CID 114598944

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine (CID 114598897) is N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine is CC(Nc1ncccc1S(C)(=O)=O)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine?
The InChIKey is AMNIHJUXZZYTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(11-6-3-4-7-11)15-13-12(18(2,16)17)8-5-9-14-13/h5,8-11H,3-4,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine?
N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine has a molecular weight of 268.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114598897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).