N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine

C10H22N2S — CID 63982252

IUPACN-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCC1CCCCN1C
InChIInChI=1S/C10H22N2S/c1-12-7-4-3-5-10(12)9-11-6-8-13-2/h10-11H,3-9H2,1-2H3
InChIKeyYHLWSZMEPWSATK-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds5

About N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine

N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine (PubChem CID 63982252) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine
PubChem CID63982252
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCC1CCCCN1C
InChIInChI=1S/C10H22N2S/c1-12-7-4-3-5-10(12)9-11-6-8-13-2/h10-11H,3-9H2,1-2H3
InChIKeyYHLWSZMEPWSATK-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine (CID 63982252) is N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine is CSCCNCC1CCCCN1C.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine?
The InChIKey is YHLWSZMEPWSATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-12-7-4-3-5-10(12)9-11-6-8-13-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine?
N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine is sourced from PubChem (CID 63982252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).