N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine

C10H21NOS — CID 115706242

IUPACN-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
SMILESCSCCNC(C)C1CCOCC1
InChIInChI=1S/C10H21NOS/c1-9(11-5-8-13-2)10-3-6-12-7-4-10/h9-11H,3-8H2,1-2H3
InChIKeyVCKPYRFQWPWGRD-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.75
Rot. Bonds5

About N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine

N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine (PubChem CID 115706242) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
PubChem CID115706242
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
SMILESCSCCNC(C)C1CCOCC1
InChIInChI=1S/C10H21NOS/c1-9(11-5-8-13-2)10-3-6-12-7-4-10/h9-11H,3-8H2,1-2H3
InChIKeyVCKPYRFQWPWGRD-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
(1S)-1-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 104863405
(1S)-1-cycloheptyl-N-(2-methylsulfanylethyl)ethanamine
CID 104580013
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
N-[(1S)-1-cyclopentylethyl]-3-methylsulfanylpropan-1-amine
CID 81385548
N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine
CID 115721359
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine
CID 81387495
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 103271280

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine (CID 115706242) is N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine is CSCCNC(C)C1CCOCC1.
What is the InChIKey of N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine?
The InChIKey is VCKPYRFQWPWGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(11-5-8-13-2)10-3-6-12-7-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine?
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine has a molecular weight of 203.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115706242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).