3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine

C14H30N2OS — CID 156533357

IUPAC3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine
SMILESCSNCCCOCC1CCN(CC(C)C)CC1
InChIInChI=1S/C14H30N2OS/c1-13(2)11-16-8-5-14(6-9-16)12-17-10-4-7-15-18-3/h13-15H,4-12H2,1-3H3
InChIKeyOIYQRVCRSMSEKD-UHFFFAOYSA-N
MW274.47 g/mol
LogP2.63
Rot. Bonds9

About 3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine

3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine (PubChem CID 156533357) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is 3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine
PubChem CID156533357
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Name3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine
SMILESCSNCCCOCC1CCN(CC(C)C)CC1
InChIInChI=1S/C14H30N2OS/c1-13(2)11-16-8-5-14(6-9-16)12-17-10-4-7-15-18-3/h13-15H,4-12H2,1-3H3
InChIKeyOIYQRVCRSMSEKD-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine?
The IUPAC name of 3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine (CID 156533357) is 3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine.
What is the SMILES notation for 3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine?
The canonical SMILES for 3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine is CSNCCCOCC1CCN(CC(C)C)CC1.
What is the InChIKey of 3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine?
The InChIKey is OIYQRVCRSMSEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-13(2)11-16-8-5-14(6-9-16)12-17-10-4-7-15-18-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine?
3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine has a molecular weight of 274.47 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-N-methylsulfanylpropan-1-amine is sourced from PubChem (CID 156533357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).