3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile

C10H17NS — CID 65131049

IUPAC3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile
SMILESCCC1(CC)CC(C#N)(SC)C1
InChIInChI=1S/C10H17NS/c1-4-9(5-2)6-10(7-9,8-11)12-3/h4-7H2,1-3H3
InChIKeyLAUQHWASBOVJEX-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.21
Rot. Bonds3

About 3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile

3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile (PubChem CID 65131049) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile
PubChem CID65131049
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile
SMILESCCC1(CC)CC(C#N)(SC)C1
InChIInChI=1S/C10H17NS/c1-4-9(5-2)6-10(7-9,8-11)12-3/h4-7H2,1-3H3
InChIKeyLAUQHWASBOVJEX-UHFFFAOYSA-N
XLogP3.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile?
The IUPAC name of 3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile (CID 65131049) is 3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile?
The canonical SMILES for 3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile is CCC1(CC)CC(C#N)(SC)C1.
What is the InChIKey of 3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile?
The InChIKey is LAUQHWASBOVJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-9(5-2)6-10(7-9,8-11)12-3/h4-7H2,1-3H3.
What are the key properties of 3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile?
3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile has a molecular weight of 183.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-methylsulfanylcyclobutane-1-carbonitrile is sourced from PubChem (CID 65131049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).