N-cyclopentylmorpholine-4-carbothioamide

C10H18N2OS — CID 892364

IUPACN-cyclopentylmorpholine-4-carbothioamide
SMILESS=C(NC1CCCC1)N1CCOCC1
InChIInChI=1S/C10H18N2OS/c14-10(11-9-3-1-2-4-9)12-5-7-13-8-6-12/h9H,1-8H2,(H,11,14)
InChIKeyQXPAVWXEFVEOFE-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.14
Rot. Bonds1

About N-cyclopentylmorpholine-4-carbothioamide

N-cyclopentylmorpholine-4-carbothioamide (PubChem CID 892364) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-cyclopentylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-cyclopentylmorpholine-4-carbothioamide
PubChem CID892364
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-cyclopentylmorpholine-4-carbothioamide
SMILESS=C(NC1CCCC1)N1CCOCC1
InChIInChI=1S/C10H18N2OS/c14-10(11-9-3-1-2-4-9)12-5-7-13-8-6-12/h9H,1-8H2,(H,11,14)
InChIKeyQXPAVWXEFVEOFE-UHFFFAOYSA-N
XLogP1.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentylmorpholine-4-carbothioamide?
The IUPAC name of N-cyclopentylmorpholine-4-carbothioamide (CID 892364) is N-cyclopentylmorpholine-4-carbothioamide.
What is the SMILES notation for N-cyclopentylmorpholine-4-carbothioamide?
The canonical SMILES for N-cyclopentylmorpholine-4-carbothioamide is S=C(NC1CCCC1)N1CCOCC1.
What is the InChIKey of N-cyclopentylmorpholine-4-carbothioamide?
The InChIKey is QXPAVWXEFVEOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c14-10(11-9-3-1-2-4-9)12-5-7-13-8-6-12/h9H,1-8H2,(H,11,14).
What are the key properties of N-cyclopentylmorpholine-4-carbothioamide?
N-cyclopentylmorpholine-4-carbothioamide has a molecular weight of 214.33 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylmorpholine-4-carbothioamide is sourced from PubChem (CID 892364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).