2-propylsulfanylspiro[3.6]decane-2-carbonitrile

C14H23NS — CID 65129624

IUPAC2-propylsulfanylspiro[3.6]decane-2-carbonitrile
SMILESCCCSC1(C#N)CC2(CCCCCC2)C1
InChIInChI=1S/C14H23NS/c1-2-9-16-14(12-15)10-13(11-14)7-5-3-4-6-8-13/h2-11H2,1H3
InChIKeyLFJGZEQABAQSFU-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.53
Rot. Bonds3

About 2-propylsulfanylspiro[3.6]decane-2-carbonitrile

2-propylsulfanylspiro[3.6]decane-2-carbonitrile (PubChem CID 65129624) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-propylsulfanylspiro[3.6]decane-2-carbonitrile.

Molecular Properties

Compound Name2-propylsulfanylspiro[3.6]decane-2-carbonitrile
PubChem CID65129624
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-propylsulfanylspiro[3.6]decane-2-carbonitrile
SMILESCCCSC1(C#N)CC2(CCCCCC2)C1
InChIInChI=1S/C14H23NS/c1-2-9-16-14(12-15)10-13(11-14)7-5-3-4-6-8-13/h2-11H2,1H3
InChIKeyLFJGZEQABAQSFU-UHFFFAOYSA-N
XLogP4.53
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanylspiro[3.6]decane-2-carbonitrile?
The IUPAC name of 2-propylsulfanylspiro[3.6]decane-2-carbonitrile (CID 65129624) is 2-propylsulfanylspiro[3.6]decane-2-carbonitrile.
What is the SMILES notation for 2-propylsulfanylspiro[3.6]decane-2-carbonitrile?
The canonical SMILES for 2-propylsulfanylspiro[3.6]decane-2-carbonitrile is CCCSC1(C#N)CC2(CCCCCC2)C1.
What is the InChIKey of 2-propylsulfanylspiro[3.6]decane-2-carbonitrile?
The InChIKey is LFJGZEQABAQSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-2-9-16-14(12-15)10-13(11-14)7-5-3-4-6-8-13/h2-11H2,1H3.
What are the key properties of 2-propylsulfanylspiro[3.6]decane-2-carbonitrile?
2-propylsulfanylspiro[3.6]decane-2-carbonitrile has a molecular weight of 237.41 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanylspiro[3.6]decane-2-carbonitrile is sourced from PubChem (CID 65129624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).