4-(3-fluoropropyl)thiomorpholine-3-carboxamide

C8H15FN2OS — CID 86814377

IUPAC4-(3-fluoropropyl)thiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCCN1CCCF
InChIInChI=1S/C8H15FN2OS/c9-2-1-3-11-4-5-13-6-7(11)8(10)12/h7H,1-6H2,(H2,10,12)
InChIKeyPXAUKKVFMNCTGK-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.25
Rot. Bonds4

About 4-(3-fluoropropyl)thiomorpholine-3-carboxamide

4-(3-fluoropropyl)thiomorpholine-3-carboxamide (PubChem CID 86814377) has the molecular formula C8H15FN2OS and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(3-fluoropropyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluoropropyl)thiomorpholine-3-carboxamide
PubChem CID86814377
Molecular FormulaC8H15FN2OS
Molecular Weight206.29 g/mol
Exact Mass206.09
IUPAC Name4-(3-fluoropropyl)thiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCCN1CCCF
InChIInChI=1S/C8H15FN2OS/c9-2-1-3-11-4-5-13-6-7(11)8(10)12/h7H,1-6H2,(H2,10,12)
InChIKeyPXAUKKVFMNCTGK-UHFFFAOYSA-N
XLogP0.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)thiomorpholine-3-carboxamide?
The IUPAC name of 4-(3-fluoropropyl)thiomorpholine-3-carboxamide (CID 86814377) is 4-(3-fluoropropyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-fluoropropyl)thiomorpholine-3-carboxamide?
The canonical SMILES for 4-(3-fluoropropyl)thiomorpholine-3-carboxamide is NC(=O)C1CSCCN1CCCF.
What is the InChIKey of 4-(3-fluoropropyl)thiomorpholine-3-carboxamide?
The InChIKey is PXAUKKVFMNCTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2OS/c9-2-1-3-11-4-5-13-6-7(11)8(10)12/h7H,1-6H2,(H2,10,12).
What are the key properties of 4-(3-fluoropropyl)thiomorpholine-3-carboxamide?
4-(3-fluoropropyl)thiomorpholine-3-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 86814377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).