N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine

C12H20N2O2S — CID 104520130

IUPACN-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine
SMILESCCNC(Cc1ccccn1)C(C)S(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-4-13-12(10(2)17(3,15)16)9-11-7-5-6-8-14-11/h5-8,10,12-13H,4,9H2,1-3H3
InChIKeyBLGAXVQZGCKMMX-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.04
Rot. Bonds6

About N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine

N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine (PubChem CID 104520130) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine
PubChem CID104520130
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine
SMILESCCNC(Cc1ccccn1)C(C)S(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-4-13-12(10(2)17(3,15)16)9-11-7-5-6-8-14-11/h5-8,10,12-13H,4,9H2,1-3H3
InChIKeyBLGAXVQZGCKMMX-UHFFFAOYSA-N
XLogP1.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine
CID 79492661
N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 56790019
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
N-ethyl-4-methyl-1-pyridin-2-ylpentan-3-amine
CID 105078244
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine
CID 105170568
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
2-ethylpyridine;methanesulfonic acid
CID 86038816
1-(2,4-difluorophenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 104519997
2-(2-bromo-3-methylsulfonylpropyl)pyridine
CID 66452236
(3,4-dimethyl-1-pyridin-2-ylpentan-2-yl)hydrazine
CID 105315374

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine?
The IUPAC name of N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine (CID 104520130) is N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine?
The canonical SMILES for N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine is CCNC(Cc1ccccn1)C(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine?
The InChIKey is BLGAXVQZGCKMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-13-12(10(2)17(3,15)16)9-11-7-5-6-8-14-11/h5-8,10,12-13H,4,9H2,1-3H3.
What are the key properties of N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine?
N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine has a molecular weight of 256.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 104520130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).