N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine

C10H21NOS — CID 65129261

IUPACN-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine
SMILESCCCSCC(NC)C1CCOC1
InChIInChI=1S/C10H21NOS/c1-3-6-13-8-10(11-2)9-4-5-12-7-9/h9-11H,3-8H2,1-2H3
InChIKeyNLBZVKGANXSWDK-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.75
Rot. Bonds6

About N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine

N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine (PubChem CID 65129261) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine
PubChem CID65129261
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine
SMILESCCCSCC(NC)C1CCOC1
InChIInChI=1S/C10H21NOS/c1-3-6-13-8-10(11-2)9-4-5-12-7-9/h9-11H,3-8H2,1-2H3
InChIKeyNLBZVKGANXSWDK-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.75
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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Related Compounds

N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755768
N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine
CID 65128562
N-ethyl-1-(oxan-4-yl)-2-propylsulfanylethanamine
CID 65129097
3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113449540
1-(oxan-4-yl)-2-propylsulfanylethanol
CID 65129416
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113449572
N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine
CID 65330413
N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755794
N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine
CID 113448579

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine (CID 65129261) is N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine is CCCSCC(NC)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine?
The InChIKey is NLBZVKGANXSWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-6-13-8-10(11-2)9-4-5-12-7-9/h9-11H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine?
N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine has a molecular weight of 203.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine is sourced from PubChem (CID 65129261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).