N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide

C8H16N2OS2 — CID 82917884

IUPACN-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
SMILESCSCCNC(=O)C1CSCCN1
InChIInChI=1S/C8H16N2OS2/c1-12-4-2-10-8(11)7-6-13-5-3-9-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyMMNYZJGSLIPABS-UHFFFAOYSA-N
MW220.36 g/mol
LogP0.17
Rot. Bonds4

About N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide

N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide (PubChem CID 82917884) has the molecular formula C8H16N2OS2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
PubChem CID82917884
Molecular FormulaC8H16N2OS2
Molecular Weight220.36 g/mol
Exact Mass220.07
IUPAC NameN-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
SMILESCSCCNC(=O)C1CSCCN1
InChIInChI=1S/C8H16N2OS2/c1-12-4-2-10-8(11)7-6-13-5-3-9-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyMMNYZJGSLIPABS-UHFFFAOYSA-N
XLogP0.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
N-[2-(trifluoromethylsulfanyl)ethyl]thiomorpholine-3-carboxamide
CID 106428279
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide
CID 106427953
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82908901
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
CID 82917563
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide
CID 113410105
N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide
CID 82908390

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide (CID 82917884) is N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide is CSCCNC(=O)C1CSCCN1.
What is the InChIKey of N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide?
The InChIKey is MMNYZJGSLIPABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS2/c1-12-4-2-10-8(11)7-6-13-5-3-9-7/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide?
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide has a molecular weight of 220.36 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82917884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).