1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine

C14H19NS — CID 163642615

IUPAC1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine
SMILESCCC1CN(c2ccc(SC3CC3)cc2)C1
InChIInChI=1S/C14H19NS/c1-2-11-9-15(10-11)12-3-5-13(6-4-12)16-14-7-8-14/h3-6,11,14H,2,7-10H2,1H3
InChIKeyNVZZBPSYGNVPJU-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.79
Rot. Bonds4

About 1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine

1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine (PubChem CID 163642615) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine.

Molecular Properties

Compound Name1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine
PubChem CID163642615
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine
SMILESCCC1CN(c2ccc(SC3CC3)cc2)C1
InChIInChI=1S/C14H19NS/c1-2-11-9-15(10-11)12-3-5-13(6-4-12)16-14-7-8-14/h3-6,11,14H,2,7-10H2,1H3
InChIKeyNVZZBPSYGNVPJU-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine?
The IUPAC name of 1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine (CID 163642615) is 1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine.
What is the SMILES notation for 1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine?
The canonical SMILES for 1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine is CCC1CN(c2ccc(SC3CC3)cc2)C1.
What is the InChIKey of 1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine?
The InChIKey is NVZZBPSYGNVPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-11-9-15(10-11)12-3-5-13(6-4-12)16-14-7-8-14/h3-6,11,14H,2,7-10H2,1H3.
What are the key properties of 1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine?
1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine has a molecular weight of 233.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylsulfanylphenyl)-3-ethylazetidine is sourced from PubChem (CID 163642615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).