(6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine

C11H20N2O2S — CID 67811697

IUPAC(6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine
SMILESCCCCC1=CC=CC(CN)N1S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-3-4-6-10-7-5-8-11(9-12)13(10)16(2,14)15/h5,7-8,11H,3-4,6,9,12H2,1-2H3
InChIKeyHSRGVAOLNNGXOE-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.22
Rot. Bonds5

About (6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine

(6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine (PubChem CID 67811697) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine
PubChem CID67811697
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine
SMILESCCCCC1=CC=CC(CN)N1S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-3-4-6-10-7-5-8-11(9-12)13(10)16(2,14)15/h5,7-8,11H,3-4,6,9,12H2,1-2H3
InChIKeyHSRGVAOLNNGXOE-UHFFFAOYSA-N
XLogP1.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine?
The IUPAC name of (6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine (CID 67811697) is (6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine.
What is the SMILES notation for (6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine?
The canonical SMILES for (6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine is CCCCC1=CC=CC(CN)N1S(C)(=O)=O.
What is the InChIKey of (6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine?
The InChIKey is HSRGVAOLNNGXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-4-6-10-7-5-8-11(9-12)13(10)16(2,14)15/h5,7-8,11H,3-4,6,9,12H2,1-2H3.
What are the key properties of (6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine?
(6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine has a molecular weight of 244.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine is sourced from PubChem (CID 67811697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).