N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine

C11H18N2O2S — CID 62604364

IUPACN-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
SMILESCNC(CCS(C)(=O)=O)Cc1cccnc1
InChIInChI=1S/C11H18N2O2S/c1-12-11(5-7-16(2,14)15)8-10-4-3-6-13-9-10/h3-4,6,9,11-12H,5,7-8H2,1-2H3
InChIKeyFXRNBKJPGYEICM-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.65
Rot. Bonds6

About N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine

N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine (PubChem CID 62604364) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
PubChem CID62604364
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
SMILESCNC(CCS(C)(=O)=O)Cc1cccnc1
InChIInChI=1S/C11H18N2O2S/c1-12-11(5-7-16(2,14)15)8-10-4-3-6-13-9-10/h3-4,6,9,11-12H,5,7-8H2,1-2H3
InChIKeyFXRNBKJPGYEICM-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
4-methoxy-N-methyl-1-pyridin-3-ylbutan-2-amine
CID 115601894
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
N-methyl-5-methylsulfonyl-1-pyridin-4-ylpentan-2-amine
CID 63192370
N,4-dimethyl-1-pyridin-3-ylheptan-2-amine
CID 62604003
1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62552074
N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 105034585
N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 79180331
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
CID 115832186
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine?
The IUPAC name of N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine (CID 62604364) is N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine?
The canonical SMILES for N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine is CNC(CCS(C)(=O)=O)Cc1cccnc1.
What is the InChIKey of N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine?
The InChIKey is FXRNBKJPGYEICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-12-11(5-7-16(2,14)15)8-10-4-3-6-13-9-10/h3-4,6,9,11-12H,5,7-8H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine?
N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine has a molecular weight of 242.34 g/mol, XLogP of 0.65, 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-3-ylbutan-2-amine is sourced from PubChem (CID 62604364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).