N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine

C11H18N2O2S — CID 63192032

IUPACN-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1ccncc1
InChIInChI=1S/C11H18N2O2S/c1-12-11(4-3-9-16(2,14)15)10-5-7-13-8-6-10/h5-8,11-12H,3-4,9H2,1-2H3
InChIKeyNXBUIVKJIYIJNP-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.17
Rot. Bonds6

About N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine

N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine (PubChem CID 63192032) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
PubChem CID63192032
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1ccncc1
InChIInChI=1S/C11H18N2O2S/c1-12-11(4-3-9-16(2,14)15)10-5-7-13-8-6-10/h5-8,11-12H,3-4,9H2,1-2H3
InChIKeyNXBUIVKJIYIJNP-UHFFFAOYSA-N
XLogP1.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-methylsulfonyl-1-pyridin-4-ylpentan-2-amine
CID 63192370
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
1-(3,5-difluorophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192091
N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192034
3-methylsulfonyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81410572
N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 114330389
N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 113329542
1-(4-fluoro-3-methylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192134
1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 103444154
N-methyl-1-(2-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 63192498

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine?
The IUPAC name of N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine (CID 63192032) is N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine.
What is the SMILES notation for N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine?
The canonical SMILES for N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine is CNC(CCCS(C)(=O)=O)c1ccncc1.
What is the InChIKey of N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine?
The InChIKey is NXBUIVKJIYIJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-12-11(4-3-9-16(2,14)15)10-5-7-13-8-6-10/h5-8,11-12H,3-4,9H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine?
N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine has a molecular weight of 242.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine is sourced from PubChem (CID 63192032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).