N-pent-1-yn-3-ylthiomorpholine-3-carboxamide

C10H16N2OS — CID 106230343

IUPACN-pent-1-yn-3-ylthiomorpholine-3-carboxamide
SMILESC#CC(CC)NC(=O)C1CSCCN1
InChIInChI=1S/C10H16N2OS/c1-3-8(4-2)12-10(13)9-7-14-6-5-11-9/h1,8-9,11H,4-7H2,2H3,(H,12,13)
InChIKeySPFJRGIESIQVQO-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.22
Rot. Bonds3

About N-pent-1-yn-3-ylthiomorpholine-3-carboxamide

N-pent-1-yn-3-ylthiomorpholine-3-carboxamide (PubChem CID 106230343) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-pent-1-yn-3-ylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-pent-1-yn-3-ylthiomorpholine-3-carboxamide
PubChem CID106230343
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-pent-1-yn-3-ylthiomorpholine-3-carboxamide
SMILESC#CC(CC)NC(=O)C1CSCCN1
InChIInChI=1S/C10H16N2OS/c1-3-8(4-2)12-10(13)9-7-14-6-5-11-9/h1,8-9,11H,4-7H2,2H3,(H,12,13)
InChIKeySPFJRGIESIQVQO-UHFFFAOYSA-N
XLogP0.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.22
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-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230323
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572
N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
CID 82917888
4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230325
N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide
CID 82909094
N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
CID 82918098
(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide
CID 106230318
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-ylthiomorpholine-3-carboxamide?
The IUPAC name of N-pent-1-yn-3-ylthiomorpholine-3-carboxamide (CID 106230343) is N-pent-1-yn-3-ylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-pent-1-yn-3-ylthiomorpholine-3-carboxamide?
The canonical SMILES for N-pent-1-yn-3-ylthiomorpholine-3-carboxamide is C#CC(CC)NC(=O)C1CSCCN1.
What is the InChIKey of N-pent-1-yn-3-ylthiomorpholine-3-carboxamide?
The InChIKey is SPFJRGIESIQVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-8(4-2)12-10(13)9-7-14-6-5-11-9/h1,8-9,11H,4-7H2,2H3,(H,12,13).
What are the key properties of N-pent-1-yn-3-ylthiomorpholine-3-carboxamide?
N-pent-1-yn-3-ylthiomorpholine-3-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-ylthiomorpholine-3-carboxamide is sourced from PubChem (CID 106230343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).