N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide

C10H16N2OS2 — CID 106427953

IUPACN-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide
SMILESC#CCSCCNC(=O)C1CSCCN1
InChIInChI=1S/C10H16N2OS2/c1-2-5-14-6-4-12-10(13)9-8-15-7-3-11-9/h1,9,11H,3-8H2,(H,12,13)
InChIKeyDJOKRTHLOHJJOK-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.17
Rot. Bonds5

About N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide

N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide (PubChem CID 106427953) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide
PubChem CID106427953
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC NameN-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide
SMILESC#CCSCCNC(=O)C1CSCCN1
InChIInChI=1S/C10H16N2OS2/c1-2-5-14-6-4-12-10(13)9-8-15-7-3-11-9/h1,9,11H,3-8H2,(H,12,13)
InChIKeyDJOKRTHLOHJJOK-UHFFFAOYSA-N
XLogP0.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[2-(trifluoromethylsulfanyl)ethyl]thiomorpholine-3-carboxamide
CID 106428279
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82908901
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917
N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide
CID 106291830
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
CID 82917563
3-(2-prop-2-ynylsulfanylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106426677
1-thiomorpholin-3-ylpent-4-yn-1-one
CID 116609650

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide (CID 106427953) is N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide is C#CCSCCNC(=O)C1CSCCN1.
What is the InChIKey of N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide?
The InChIKey is DJOKRTHLOHJJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-2-5-14-6-4-12-10(13)9-8-15-7-3-11-9/h1,9,11H,3-8H2,(H,12,13).
What are the key properties of N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide?
N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide has a molecular weight of 244.38 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 106427953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).