1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine

C11H17ClN2O2S — CID 103444154

IUPAC1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1ncccc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-13-10(6-4-8-17(2,15)16)11-9(12)5-3-7-14-11/h3,5,7,10,13H,4,6,8H2,1-2H3
InChIKeyYSQMRLUWFWKSIX-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.82
Rot. Bonds6

About 1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine

1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine (PubChem CID 103444154) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
PubChem CID103444154
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1ncccc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-13-10(6-4-8-17(2,15)16)11-9(12)5-3-7-14-11/h3,5,7,10,13H,4,6,8H2,1-2H3
InChIKeyYSQMRLUWFWKSIX-UHFFFAOYSA-N
XLogP1.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 62603574
1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine
CID 103444341
4-ethylsulfonyl-N-methyl-1-(3-methyl-2-pyridinyl)butan-1-amine
CID 65095905
N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
CID 63192032
1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 63192413
1-(3-chloro-2-pyridinyl)-N-ethylpentan-1-amine
CID 103444452
N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 113329542
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192034
N-methyl-1-(2-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 63192498
1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine
CID 103444249
3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
CID 133386738

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine (CID 103444154) is 1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine is CNC(CCCS(C)(=O)=O)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine?
The InChIKey is YSQMRLUWFWKSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-13-10(6-4-8-17(2,15)16)11-9(12)5-3-7-14-11/h3,5,7,10,13H,4,6,8H2,1-2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine?
1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine has a molecular weight of 276.79 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 103444154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).