1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile

C10H17NS — CID 65130837

IUPAC1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile
SMILESCCCC1CC(C#N)(SCC)C1
InChIInChI=1S/C10H17NS/c1-3-5-9-6-10(7-9,8-11)12-4-2/h9H,3-7H2,1-2H3
InChIKeyDSPNAXAJDJCOBW-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.21
Rot. Bonds4

About 1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile

1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile (PubChem CID 65130837) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile
PubChem CID65130837
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile
SMILESCCCC1CC(C#N)(SCC)C1
InChIInChI=1S/C10H17NS/c1-3-5-9-6-10(7-9,8-11)12-4-2/h9H,3-7H2,1-2H3
InChIKeyDSPNAXAJDJCOBW-UHFFFAOYSA-N
XLogP3.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile?
The IUPAC name of 1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile (CID 65130837) is 1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile is CCCC1CC(C#N)(SCC)C1.
What is the InChIKey of 1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile?
The InChIKey is DSPNAXAJDJCOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-5-9-6-10(7-9,8-11)12-4-2/h9H,3-7H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile?
1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile has a molecular weight of 183.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-propylcyclobutane-1-carbonitrile is sourced from PubChem (CID 65130837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).