1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile

C8H13NS — CID 65130838

IUPAC1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile
SMILESCCSC1(C#N)CC(C)C1
InChIInChI=1S/C8H13NS/c1-3-10-8(6-9)4-7(2)5-8/h7H,3-5H2,1-2H3
InChIKeyFFHWYEHZTRSWMJ-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.43
Rot. Bonds2

About 1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile

1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile (PubChem CID 65130838) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile
PubChem CID65130838
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile
SMILESCCSC1(C#N)CC(C)C1
InChIInChI=1S/C8H13NS/c1-3-10-8(6-9)4-7(2)5-8/h7H,3-5H2,1-2H3
InChIKeyFFHWYEHZTRSWMJ-UHFFFAOYSA-N
XLogP2.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile (CID 65130838) is 1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile is CCSC1(C#N)CC(C)C1.
What is the InChIKey of 1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile?
The InChIKey is FFHWYEHZTRSWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-10-8(6-9)4-7(2)5-8/h7H,3-5H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile?
1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile has a molecular weight of 155.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 65130838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).