2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine

C15H25N3O2S — CID 65043880

IUPAC2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NC2CCCC2S(C)(=O)=O)cn1
InChIInChI=1S/C15H25N3O2S/c1-4-18(5-2)15-10-9-12(11-16-15)17-13-7-6-8-14(13)21(3,19)20/h9-11,13-14,17H,4-8H2,1-3H3
InChIKeyQWIJMJSQHQIKRX-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.31
Rot. Bonds6

About 2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine

2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine (PubChem CID 65043880) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine
PubChem CID65043880
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NC2CCCC2S(C)(=O)=O)cn1
InChIInChI=1S/C15H25N3O2S/c1-4-18(5-2)15-10-9-12(11-16-15)17-13-7-6-8-14(13)21(3,19)20/h9-11,13-14,17H,4-8H2,1-3H3
InChIKeyQWIJMJSQHQIKRX-UHFFFAOYSA-N
XLogP2.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine (CID 65043880) is 2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine is CCN(CC)c1ccc(NC2CCCC2S(C)(=O)=O)cn1.
What is the InChIKey of 2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine?
The InChIKey is QWIJMJSQHQIKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-18(5-2)15-10-9-12(11-16-15)17-13-7-6-8-14(13)21(3,19)20/h9-11,13-14,17H,4-8H2,1-3H3.
What are the key properties of 2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine?
2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine has a molecular weight of 311.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine is sourced from PubChem (CID 65043880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).