2-aminoethoxy(1-cyclopropylethyl)sulfanium

C7H16NOS+ — CID 163586411

IUPAC2-aminoethoxy(1-cyclopropylethyl)sulfanium
SMILESCC([SH+]OCCN)C1CC1
InChIInChI=1S/C7H15NOS/c1-6(7-2-3-7)10-9-5-4-8/h6-7H,2-5,8H2,1H3/p+1
InChIKeyGLVZUHCSUAKJOQ-UHFFFAOYSA-O
MW162.28 g/mol
LogP0.49
Rot. Bonds5

About 2-aminoethoxy(1-cyclopropylethyl)sulfanium

2-aminoethoxy(1-cyclopropylethyl)sulfanium (PubChem CID 163586411) has the molecular formula C7H16NOS+ and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-aminoethoxy(1-cyclopropylethyl)sulfanium.

Molecular Properties

Compound Name2-aminoethoxy(1-cyclopropylethyl)sulfanium
PubChem CID163586411
Molecular FormulaC7H16NOS+
Molecular Weight162.28 g/mol
Exact Mass162.09
IUPAC Name2-aminoethoxy(1-cyclopropylethyl)sulfanium
SMILESCC([SH+]OCCN)C1CC1
InChIInChI=1S/C7H15NOS/c1-6(7-2-3-7)10-9-5-4-8/h6-7H,2-5,8H2,1H3/p+1
InChIKeyGLVZUHCSUAKJOQ-UHFFFAOYSA-O
XLogP0.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethoxy(1-cyclopropylethyl)sulfanium?
The IUPAC name of 2-aminoethoxy(1-cyclopropylethyl)sulfanium (CID 163586411) is 2-aminoethoxy(1-cyclopropylethyl)sulfanium.
What is the SMILES notation for 2-aminoethoxy(1-cyclopropylethyl)sulfanium?
The canonical SMILES for 2-aminoethoxy(1-cyclopropylethyl)sulfanium is CC([SH+]OCCN)C1CC1.
What is the InChIKey of 2-aminoethoxy(1-cyclopropylethyl)sulfanium?
The InChIKey is GLVZUHCSUAKJOQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NOS/c1-6(7-2-3-7)10-9-5-4-8/h6-7H,2-5,8H2,1H3/p+1.
What are the key properties of 2-aminoethoxy(1-cyclopropylethyl)sulfanium?
2-aminoethoxy(1-cyclopropylethyl)sulfanium has a molecular weight of 162.28 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethoxy(1-cyclopropylethyl)sulfanium is sourced from PubChem (CID 163586411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).