1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine

C8H17NOS — CID 134457089

IUPAC1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
SMILESCSC(C)NCC1CCOC1
InChIInChI=1S/C8H17NOS/c1-7(11-2)9-5-8-3-4-10-6-8/h7-9H,3-6H2,1-2H3
InChIKeyXVGIHCZXLMWCJH-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.32
Rot. Bonds4

About 1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine

1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 134457089) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID134457089
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
SMILESCSC(C)NCC1CCOC1
InChIInChI=1S/C8H17NOS/c1-7(11-2)9-5-8-3-4-10-6-8/h7-9H,3-6H2,1-2H3
InChIKeyXVGIHCZXLMWCJH-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 115887609
N-(oxolan-3-ylmethyl)but-3-en-2-amine
CID 115887872
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 61313229
4-methyl-3-(oxolan-3-ylmethylamino)pentan-1-ol
CID 115887731
1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 61477177
1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191196
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
CID 43751776
1-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920670

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine (CID 134457089) is 1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine is CSC(C)NCC1CCOC1.
What is the InChIKey of 1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is XVGIHCZXLMWCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(11-2)9-5-8-3-4-10-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine?
1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 175.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 134457089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).