N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine

C13H22N2O2S2 — CID 106544549

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine
SMILESCCC(CC)(CNc1ncccc1S(C)(=O)=O)SC
InChIInChI=1S/C13H22N2O2S2/c1-5-13(6-2,18-3)10-15-12-11(19(4,16)17)8-7-9-14-12/h7-9H,5-6,10H2,1-4H3,(H,14,15)
InChIKeyBEWIIJKRCVIYOV-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.82
Rot. Bonds7

About N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine

N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine (PubChem CID 106544549) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine
PubChem CID106544549
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine
SMILESCCC(CC)(CNc1ncccc1S(C)(=O)=O)SC
InChIInChI=1S/C13H22N2O2S2/c1-5-13(6-2,18-3)10-15-12-11(19(4,16)17)8-7-9-14-12/h7-9H,5-6,10H2,1-4H3,(H,14,15)
InChIKeyBEWIIJKRCVIYOV-UHFFFAOYSA-N
XLogP2.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 114598887
2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 106545025
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
N-[[4-(chloromethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 107233152
N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide
CID 114115952
N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598676
N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine
CID 114598752
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114599421
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114599022
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine (CID 106544549) is N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine is CCC(CC)(CNc1ncccc1S(C)(=O)=O)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine?
The InChIKey is BEWIIJKRCVIYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-5-13(6-2,18-3)10-15-12-11(19(4,16)17)8-7-9-14-12/h7-9H,5-6,10H2,1-4H3,(H,14,15).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine?
N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine has a molecular weight of 302.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 106544549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).