2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine

C12H23NOS — CID 106495349

IUPAC2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CSCC1CCCO1
InChIInChI=1S/C12H23NOS/c1-3-6-13-8-11(2)9-15-10-12-5-4-7-14-12/h12-13H,2-10H2,1H3
InChIKeyYEHFJEWUKYFJCE-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.45
Rot. Bonds8

About 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine

2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine (PubChem CID 106495349) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine
PubChem CID106495349
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CSCC1CCCO1
InChIInChI=1S/C12H23NOS/c1-3-6-13-8-11(2)9-15-10-12-5-4-7-14-12/h12-13H,2-10H2,1H3
InChIKeyYEHFJEWUKYFJCE-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106495354
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
3-ethoxy-N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 106495895
N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
CID 103799843
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
N-[[3,5-difluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]propan-1-amine
CID 106496601
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069022
N-(oxolan-3-ylmethyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106495892
N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 106495839

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine (CID 106495349) is 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)CSCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine?
The InChIKey is YEHFJEWUKYFJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-3-6-13-8-11(2)9-15-10-12-5-4-7-14-12/h12-13H,2-10H2,1H3.
What are the key properties of 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine?
2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine has a molecular weight of 229.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 106495349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).