3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile

C14H25NS — CID 65129623

IUPAC3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile
SMILESCCCSC1(C#N)CC(CCC)(CCC)C1
InChIInChI=1S/C14H25NS/c1-4-7-13(8-5-2)10-14(11-13,12-15)16-9-6-3/h4-11H2,1-3H3
InChIKeyRSAKYHPZCZXBOL-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.77
Rot. Bonds7

About 3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile

3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile (PubChem CID 65129623) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile
PubChem CID65129623
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile
SMILESCCCSC1(C#N)CC(CCC)(CCC)C1
InChIInChI=1S/C14H25NS/c1-4-7-13(8-5-2)10-14(11-13,12-15)16-9-6-3/h4-11H2,1-3H3
InChIKeyRSAKYHPZCZXBOL-UHFFFAOYSA-N
XLogP4.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile?
The IUPAC name of 3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile (CID 65129623) is 3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile?
The canonical SMILES for 3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile is CCCSC1(C#N)CC(CCC)(CCC)C1.
What is the InChIKey of 3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile?
The InChIKey is RSAKYHPZCZXBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-7-13(8-5-2)10-14(11-13,12-15)16-9-6-3/h4-11H2,1-3H3.
What are the key properties of 3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile?
3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile has a molecular weight of 239.43 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dipropyl-1-propylsulfanylcyclobutane-1-carbonitrile is sourced from PubChem (CID 65129623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).