N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine

C12H23NO2S — CID 106496921

IUPACN-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine
SMILESCCNC1CCOCC1SCC1CCCO1
InChIInChI=1S/C12H23NO2S/c1-2-13-11-5-7-14-8-12(11)16-9-10-4-3-6-15-10/h10-13H,2-9H2,1H3
InChIKeyVHEQEFAHAFUALG-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.67
Rot. Bonds5

About N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine

N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine (PubChem CID 106496921) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine
PubChem CID106496921
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine
SMILESCCNC1CCOCC1SCC1CCCO1
InChIInChI=1S/C12H23NO2S/c1-2-13-11-5-7-14-8-12(11)16-9-10-4-3-6-15-10/h10-13H,2-9H2,1H3
InChIKeyVHEQEFAHAFUALG-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine
CID 106496986
N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine
CID 64612141
4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 106496824
4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 106496874
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine
CID 64634495
N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine
CID 64650633
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
N-(oxolan-3-ylmethyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106495892
N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine
CID 64620213
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
N-ethyl-4-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 62549830
N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine
CID 64649724

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine?
The IUPAC name of N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine (CID 106496921) is N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine.
What is the SMILES notation for N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine?
The canonical SMILES for N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine is CCNC1CCOCC1SCC1CCCO1.
What is the InChIKey of N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine?
The InChIKey is VHEQEFAHAFUALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-13-11-5-7-14-8-12(11)16-9-10-4-3-6-15-10/h10-13H,2-9H2,1H3.
What are the key properties of N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine?
N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine has a molecular weight of 245.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine is sourced from PubChem (CID 106496921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).