2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine

C11H18N2O4S2 — CID 106728941

IUPAC2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)CCS(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H18N2O4S2/c1-11(2,3)19(16,17)8-7-18(14,15)10-9(12)5-4-6-13-10/h4-6H,7-8,12H2,1-3H3
InChIKeyLFAYIGMATSQAOP-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.65
Rot. Bonds4

About 2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine

2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine (PubChem CID 106728941) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine
PubChem CID106728941
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)CCS(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H18N2O4S2/c1-11(2,3)19(16,17)8-7-18(14,15)10-9(12)5-4-6-13-10/h4-6H,7-8,12H2,1-3H3
InChIKeyLFAYIGMATSQAOP-UHFFFAOYSA-N
XLogP0.65
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
2-(Phenylsulfanyl)pyridin-3-amine
CID 819361
5-Aminopyridine-2-sulfonamide
CID 22313850
3-Pyridinamine, 6-((4-aminophenyl)sulfonyl)-
CID 79398
6-(Phenylsulfonyl)pyridine-3-sulfonamide
CID 819426
Thiophene-2-sulfonic acid pyridin-3-ylamide
CID 651720
6-(Phenylsulfanyl)-3-pyridinamine
CID 699576
6-(Methylsulfanyl)pyridin-3-amine
CID 10261179
1-(6-(Ethylthio)pyridin-3-yl)-1,4-diazepane
CID 10799900
2-[(4-Methylphenyl)sulfonyl]-3-pyridinylamine
CID 1472344
3-Aminopyridine-2-sulfonamide
CID 14943702
6-(Methylsulfonyl)pyridin-3-amine
CID 20038977

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine?
The IUPAC name of 2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine (CID 106728941) is 2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine.
What is the SMILES notation for 2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine?
The canonical SMILES for 2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine is CC(C)(C)S(=O)(=O)CCS(=O)(=O)c1ncccc1N.
What is the InChIKey of 2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine?
The InChIKey is LFAYIGMATSQAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-11(2,3)19(16,17)8-7-18(14,15)10-9(12)5-4-6-13-10/h4-6H,7-8,12H2,1-3H3.
What are the key properties of 2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine?
2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine has a molecular weight of 306.41 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine is sourced from PubChem (CID 106728941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).