N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine

C9H19NOS — CID 102673015

IUPACN-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine
SMILESCCSCCNC1CC(OC)C1
InChIInChI=1S/C9H19NOS/c1-3-12-5-4-10-8-6-9(7-8)11-2/h8-10H,3-7H2,1-2H3
InChIKeyAAMDQYPQEGQYCS-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.51
Rot. Bonds6

About N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine

N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine (PubChem CID 102673015) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine
PubChem CID102673015
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine
SMILESCCSCCNC1CC(OC)C1
InChIInChI=1S/C9H19NOS/c1-3-12-5-4-10-8-6-9(7-8)11-2/h8-10H,3-7H2,1-2H3
InChIKeyAAMDQYPQEGQYCS-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine (CID 102673015) is N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine is CCSCCNC1CC(OC)C1.
What is the InChIKey of N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine?
The InChIKey is AAMDQYPQEGQYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-3-12-5-4-10-8-6-9(7-8)11-2/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine?
N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 102673015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).