1-propylsulfanylcyclobutane-1-carbonitrile

C8H13NS — CID 65129568

IUPAC1-propylsulfanylcyclobutane-1-carbonitrile
SMILESCCCSC1(C#N)CCC1
InChIInChI=1S/C8H13NS/c1-2-6-10-8(7-9)4-3-5-8/h2-6H2,1H3
InChIKeyVEGOGBVUFJKFOS-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.58
Rot. Bonds3

About 1-propylsulfanylcyclobutane-1-carbonitrile

1-propylsulfanylcyclobutane-1-carbonitrile (PubChem CID 65129568) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-propylsulfanylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-propylsulfanylcyclobutane-1-carbonitrile
PubChem CID65129568
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-propylsulfanylcyclobutane-1-carbonitrile
SMILESCCCSC1(C#N)CCC1
InChIInChI=1S/C8H13NS/c1-2-6-10-8(7-9)4-3-5-8/h2-6H2,1H3
InChIKeyVEGOGBVUFJKFOS-UHFFFAOYSA-N
XLogP2.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanylcyclobutane-1-carbonitrile?
The IUPAC name of 1-propylsulfanylcyclobutane-1-carbonitrile (CID 65129568) is 1-propylsulfanylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-propylsulfanylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-propylsulfanylcyclobutane-1-carbonitrile is CCCSC1(C#N)CCC1.
What is the InChIKey of 1-propylsulfanylcyclobutane-1-carbonitrile?
The InChIKey is VEGOGBVUFJKFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-6-10-8(7-9)4-3-5-8/h2-6H2,1H3.
What are the key properties of 1-propylsulfanylcyclobutane-1-carbonitrile?
1-propylsulfanylcyclobutane-1-carbonitrile has a molecular weight of 155.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanylcyclobutane-1-carbonitrile is sourced from PubChem (CID 65129568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).