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

C11H18N2O2S — CID 63192413

IUPAC1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
SMILESCc1cccnc1C(N)CCCS(C)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-9-5-3-7-13-11(9)10(12)6-4-8-16(2,14)15/h3,5,7,10H,4,6,8,12H2,1-2H3
InChIKeyIMLPATDZAZFEPO-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.21
Rot. Bonds5

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

1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine (PubChem CID 63192413) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
PubChem CID63192413
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
SMILESCc1cccnc1C(N)CCCS(C)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-9-5-3-7-13-11(9)10(12)6-4-8-16(2,14)15/h3,5,7,10H,4,6,8,12H2,1-2H3
InChIKeyIMLPATDZAZFEPO-UHFFFAOYSA-N
XLogP1.21
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114982995
N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 62603574
(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530
2-amino-2-(3-methyl-2-pyridinyl)ethanethiol
CID 88739390
2-amino-2-(3-methyl-2-pyridinyl)ethanol
CID 55293811
1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 115530121
1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 103444154
4-ethylsulfonyl-N-methyl-1-(3-methyl-2-pyridinyl)butan-1-amine
CID 65095905
(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293686
1-isoquinolin-1-yl-3-methylsulfonylpropan-1-amine
CID 63950264
(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine
CID 130713891
4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
CID 63192592

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine (CID 63192413) is 1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine is Cc1cccnc1C(N)CCCS(C)(=O)=O.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine?
The InChIKey is IMLPATDZAZFEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9-5-3-7-13-11(9)10(12)6-4-8-16(2,14)15/h3,5,7,10H,4,6,8,12H2,1-2H3.
What are the key properties of 1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine?
1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine has a molecular weight of 242.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 63192413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).