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

C10H18N2O2S — CID 67814427

IUPAC(1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine
SMILESCCCC1=CC=CC(CN)N1S(C)(=O)=O
InChIInChI=1S/C10H18N2O2S/c1-3-5-9-6-4-7-10(8-11)12(9)15(2,13)14/h4,6-7,10H,3,5,8,11H2,1-2H3
InChIKeyHZTFEEHEUHXZKD-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.83
Rot. Bonds4

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

(1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine (PubChem CID 67814427) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is (1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine
PubChem CID67814427
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name(1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine
SMILESCCCC1=CC=CC(CN)N1S(C)(=O)=O
InChIInChI=1S/C10H18N2O2S/c1-3-5-9-6-4-7-10(8-11)12(9)15(2,13)14/h4,6-7,10H,3,5,8,11H2,1-2H3
InChIKeyHZTFEEHEUHXZKD-UHFFFAOYSA-N
XLogP0.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine?
The IUPAC name of (1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine (CID 67814427) is (1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine.
What is the SMILES notation for (1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine?
The canonical SMILES for (1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine is CCCC1=CC=CC(CN)N1S(C)(=O)=O.
What is the InChIKey of (1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine?
The InChIKey is HZTFEEHEUHXZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-5-9-6-4-7-10(8-11)12(9)15(2,13)14/h4,6-7,10H,3,5,8,11H2,1-2H3.
What are the key properties of (1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine?
(1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine has a molecular weight of 230.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine is sourced from PubChem (CID 67814427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).