2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine

C8H17NOS — CID 60683831

IUPAC2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCSCCNCC1CCCO1
InChIInChI=1S/C8H17NOS/c1-11-6-4-9-7-8-3-2-5-10-8/h8-9H,2-7H2,1H3
InChIKeyZRJAIGSMBYJEPO-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.12
Rot. Bonds5

About 2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine

2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 60683831) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID60683831
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCSCCNCC1CCCO1
InChIInChI=1S/C8H17NOS/c1-11-6-4-9-7-8-3-2-5-10-8/h8-9H,2-7H2,1H3
InChIKeyZRJAIGSMBYJEPO-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.12
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

2-(3-methylbutan-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107757225
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
2-(4-methylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62580638
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
3-(oxolan-2-ylmethylamino)propanenitrile
CID 2779328
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol
CID 106310371

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine (CID 60683831) is 2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine is CSCCNCC1CCCO1.
What is the InChIKey of 2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is ZRJAIGSMBYJEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-11-6-4-9-7-8-3-2-5-10-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine?
2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 175.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 60683831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).