1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine

C14H27NS — CID 167098002

IUPAC1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine
SMILESCCSCC(C)C1CN(C2CCCCC2)C1
InChIInChI=1S/C14H27NS/c1-3-16-11-12(2)13-9-15(10-13)14-7-5-4-6-8-14/h12-14H,3-11H2,1-2H3
InChIKeyAOZTZCIHMXPVHD-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.64
Rot. Bonds5

About 1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine

1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine (PubChem CID 167098002) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine
PubChem CID167098002
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine
SMILESCCSCC(C)C1CN(C2CCCCC2)C1
InChIInChI=1S/C14H27NS/c1-3-16-11-12(2)13-9-15(10-13)14-7-5-4-6-8-14/h12-14H,3-11H2,1-2H3
InChIKeyAOZTZCIHMXPVHD-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine?
The IUPAC name of 1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine (CID 167098002) is 1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine.
What is the SMILES notation for 1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine?
The canonical SMILES for 1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine is CCSCC(C)C1CN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine?
The InChIKey is AOZTZCIHMXPVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-3-16-11-12(2)13-9-15(10-13)14-7-5-4-6-8-14/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine?
1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine has a molecular weight of 241.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine is sourced from PubChem (CID 167098002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).