4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine

C11H18N2O2S — CID 81194020

IUPAC4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine
SMILESCc1cccc(CS(=O)(=O)CCC(C)N)n1
InChIInChI=1S/C11H18N2O2S/c1-9(12)6-7-16(14,15)8-11-5-3-4-10(2)13-11/h3-5,9H,6-8,12H2,1-2H3
InChIKeyIRHNLJIQCFRVAF-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.04
Rot. Bonds5

About 4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine

4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine (PubChem CID 81194020) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine.

Molecular Properties

Compound Name4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine
PubChem CID81194020
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine
SMILESCc1cccc(CS(=O)(=O)CCC(C)N)n1
InChIInChI=1S/C11H18N2O2S/c1-9(12)6-7-16(14,15)8-11-5-3-4-10(2)13-11/h3-5,9H,6-8,12H2,1-2H3
InChIKeyIRHNLJIQCFRVAF-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-methyl-2-pyridinyl)methylsulfonyl]ethanamine
CID 81174634
4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine
CID 82896360
(2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 145191448
4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride
CID 120566072
4-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]butan-2-amine
CID 81194177
2-[(6-methyl-2-pyridinyl)methylsulfonyl]propanoic acid
CID 79268059
3-(3-aminobutylsulfonylmethyl)benzamide
CID 81194636
3-chloro-4-[(6-methyl-2-pyridinyl)methylsulfonyl]aniline
CID 81181655
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 62307698
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
3-[(6-methyl-2-pyridinyl)methylsulfanyl]butan-1-ol
CID 79035532
2-amino-3-(6-methyl-2-pyridinyl)propan-1-ol;hydrochloride
CID 170891881

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine?
The IUPAC name of 4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine (CID 81194020) is 4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine.
What is the SMILES notation for 4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine?
The canonical SMILES for 4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine is Cc1cccc(CS(=O)(=O)CCC(C)N)n1.
What is the InChIKey of 4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine?
The InChIKey is IRHNLJIQCFRVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(12)6-7-16(14,15)8-11-5-3-4-10(2)13-11/h3-5,9H,6-8,12H2,1-2H3.
What are the key properties of 4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine?
4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine has a molecular weight of 242.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine is sourced from PubChem (CID 81194020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).