N-prop-2-ynylthiomorpholine-3-carboxamide

C8H12N2OS — CID 82905662

IUPACN-prop-2-ynylthiomorpholine-3-carboxamide
SMILESC#CCNC(=O)C1CSCCN1
InChIInChI=1S/C8H12N2OS/c1-2-3-10-8(11)7-6-12-5-4-9-7/h1,7,9H,3-6H2,(H,10,11)
InChIKeyUOAHOASNEQATKZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP-0.56
Rot. Bonds2

About N-prop-2-ynylthiomorpholine-3-carboxamide

N-prop-2-ynylthiomorpholine-3-carboxamide (PubChem CID 82905662) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-prop-2-ynylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynylthiomorpholine-3-carboxamide
PubChem CID82905662
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-prop-2-ynylthiomorpholine-3-carboxamide
SMILESC#CCNC(=O)C1CSCCN1
InChIInChI=1S/C8H12N2OS/c1-2-3-10-8(11)7-6-12-5-4-9-7/h1,7,9H,3-6H2,(H,10,11)
InChIKeyUOAHOASNEQATKZ-UHFFFAOYSA-N
XLogP-0.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide
CID 106427953
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide
CID 106291830
N-pent-1-yn-3-ylthiomorpholine-3-carboxamide
CID 106230343
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide
CID 82917775
1-thiomorpholin-3-ylpent-4-yn-1-one
CID 116609650
thiomorpholine-3-carbohydrazide
CID 14045872

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylthiomorpholine-3-carboxamide?
The IUPAC name of N-prop-2-ynylthiomorpholine-3-carboxamide (CID 82905662) is N-prop-2-ynylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-prop-2-ynylthiomorpholine-3-carboxamide?
The canonical SMILES for N-prop-2-ynylthiomorpholine-3-carboxamide is C#CCNC(=O)C1CSCCN1.
What is the InChIKey of N-prop-2-ynylthiomorpholine-3-carboxamide?
The InChIKey is UOAHOASNEQATKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-3-10-8(11)7-6-12-5-4-9-7/h1,7,9H,3-6H2,(H,10,11).
What are the key properties of N-prop-2-ynylthiomorpholine-3-carboxamide?
N-prop-2-ynylthiomorpholine-3-carboxamide has a molecular weight of 184.26 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82905662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).