2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine

C12H23NO2S — CID 107756876

IUPAC2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC1OCCC1SCCNCC1CCOC1
InChIInChI=1S/C12H23NO2S/c1-10-12(3-6-15-10)16-7-4-13-8-11-2-5-14-9-11/h10-13H,2-9H2,1H3
InChIKeyKUTNCCZMUBBHRE-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.52
Rot. Bonds6

About 2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine

2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 107756876) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID107756876
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC1OCCC1SCCNCC1CCOC1
InChIInChI=1S/C12H23NO2S/c1-10-12(3-6-15-10)16-7-4-13-8-11-2-5-14-9-11/h10-13H,2-9H2,1H3
InChIKeyKUTNCCZMUBBHRE-UHFFFAOYSA-N
XLogP1.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.52
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

2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine
CID 62579243
2-(2-methyloxolan-3-yl)sulfanylethanol
CID 103847375
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
3-(2-chloroethylsulfanyl)-2-methyloxolane
CID 107746824
N-(oxolan-3-ylmethyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106495892
4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol
CID 107751769
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
3-cyclopentyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887250
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
4-(2-methyloxolan-3-yl)sulfanyl-N-propylbutan-1-amine
CID 107756866
3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760881

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine (CID 107756876) is 2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine is CC1OCCC1SCCNCC1CCOC1.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is KUTNCCZMUBBHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10-12(3-6-15-10)16-7-4-13-8-11-2-5-14-9-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 245.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107756876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).