3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile

C7H11NS — CID 15723332

IUPAC3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile
SMILESCSC1(C#N)CC(C)C1
InChIInChI=1S/C7H11NS/c1-6-3-7(4-6,5-8)9-2/h6H,3-4H2,1-2H3
InChIKeyBPALGUZXJBYCEB-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.04
Rot. Bonds1

About 3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile

3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile (PubChem CID 15723332) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile
PubChem CID15723332
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile
SMILESCSC1(C#N)CC(C)C1
InChIInChI=1S/C7H11NS/c1-6-3-7(4-6,5-8)9-2/h6H,3-4H2,1-2H3
InChIKeyBPALGUZXJBYCEB-UHFFFAOYSA-N
XLogP2.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile?
The IUPAC name of 3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile (CID 15723332) is 3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile is CSC1(C#N)CC(C)C1.
What is the InChIKey of 3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile?
The InChIKey is BPALGUZXJBYCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-3-7(4-6,5-8)9-2/h6H,3-4H2,1-2H3.
What are the key properties of 3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile?
3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile has a molecular weight of 141.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile is sourced from PubChem (CID 15723332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).