N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine

C11H18N2O2S — CID 63305984

IUPACN-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCc1cccnc1CNCCCS(C)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-10-5-3-7-13-11(10)9-12-6-4-8-16(2,14)15/h3,5,7,12H,4,6,8-9H2,1-2H3
InChIKeyQOPAZFIVUDRCBN-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.91
Rot. Bonds6

About N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine

N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine (PubChem CID 63305984) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
PubChem CID63305984
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCc1cccnc1CNCCCS(C)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-10-5-3-7-13-11(10)9-12-6-4-8-16(2,14)15/h3,5,7,12H,4,6,8-9H2,1-2H3
InChIKeyQOPAZFIVUDRCBN-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 106336628
2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
CID 114385023
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 107320423
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
CID 112650180
4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide
CID 116816179
2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305980
1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 83167952
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480
2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112640127
3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 63190850
N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63309364
1-(3-methyl-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 63305626

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine (CID 63305984) is N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine is Cc1cccnc1CNCCCS(C)(=O)=O.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine?
The InChIKey is QOPAZFIVUDRCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-10-5-3-7-13-11(10)9-12-6-4-8-16(2,14)15/h3,5,7,12H,4,6,8-9H2,1-2H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine?
N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine has a molecular weight of 242.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 63305984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).