N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine

C10H21NOS — CID 62579243

IUPACN-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine
SMILESCCCSCCNCC1CCOC1
InChIInChI=1S/C10H21NOS/c1-2-6-13-7-4-11-8-10-3-5-12-9-10/h10-11H,2-9H2,1H3
InChIKeyOMWFJHQBJNYZOU-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.76
Rot. Bonds7

About N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine

N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine (PubChem CID 62579243) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine
PubChem CID62579243
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine
SMILESCCCSCCNCC1CCOC1
InChIInChI=1S/C10H21NOS/c1-2-6-13-7-4-11-8-10-3-5-12-9-10/h10-11H,2-9H2,1H3
InChIKeyOMWFJHQBJNYZOU-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.76
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-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
N-(oxolan-3-ylmethyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106495892
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 107756876
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
3-methylsulfinyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887943
N-(oxolan-3-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
CID 115887244
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
3-ethylsulfonyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65092724
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine (CID 62579243) is N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine is CCCSCCNCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine?
The InChIKey is OMWFJHQBJNYZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-6-13-7-4-11-8-10-3-5-12-9-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine?
N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine has a molecular weight of 203.35 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine is sourced from PubChem (CID 62579243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).