3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine

C11H18N4S — CID 82909472

IUPAC3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine
SMILESC1CCC(c2n[nH]c(C3CSCCN3)n2)C1
InChIInChI=1S/C11H18N4S/c1-2-4-8(3-1)10-13-11(15-14-10)9-7-16-6-5-12-9/h8-9,12H,1-7H2,(H,13,14,15)
InChIKeyYZWILBYDFXQLFB-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.84
Rot. Bonds2

About 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine

3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine (PubChem CID 82909472) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine
PubChem CID82909472
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine
SMILESC1CCC(c2n[nH]c(C3CSCCN3)n2)C1
InChIInChI=1S/C11H18N4S/c1-2-4-8(3-1)10-13-11(15-14-10)9-7-16-6-5-12-9/h8-9,12H,1-7H2,(H,13,14,15)
InChIKeyYZWILBYDFXQLFB-UHFFFAOYSA-N
XLogP1.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine?
The IUPAC name of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine (CID 82909472) is 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine.
What is the SMILES notation for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine?
The canonical SMILES for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine is C1CCC(c2n[nH]c(C3CSCCN3)n2)C1.
What is the InChIKey of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine?
The InChIKey is YZWILBYDFXQLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-2-4-8(3-1)10-13-11(15-14-10)9-7-16-6-5-12-9/h8-9,12H,1-7H2,(H,13,14,15).
What are the key properties of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine?
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine has a molecular weight of 238.36 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)thiomorpholine is sourced from PubChem (CID 82909472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).