1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile

C10H14N2OS — CID 71683394

IUPAC1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCSCC2)CCC1
InChIInChI=1S/C10H14N2OS/c11-8-10(2-1-3-10)9(13)12-4-6-14-7-5-12/h1-7H2
InChIKeyBUIUTZAKKKNKEA-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.26
Rot. Bonds1

About 1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile

1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 71683394) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile
PubChem CID71683394
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCSCC2)CCC1
InChIInChI=1S/C10H14N2OS/c11-8-10(2-1-3-10)9(13)12-4-6-14-7-5-12/h1-7H2
InChIKeyBUIUTZAKKKNKEA-UHFFFAOYSA-N
XLogP1.26
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile (CID 71683394) is 1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CCSCC2)CCC1.
What is the InChIKey of 1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is BUIUTZAKKKNKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c11-8-10(2-1-3-10)9(13)12-4-6-14-7-5-12/h1-7H2.
What are the key properties of 1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 210.30 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 71683394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).