N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide

C9H18N2OS2 — CID 82917885

IUPACN-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
SMILESCSCCCNC(=O)C1CSCCN1
InChIInChI=1S/C9H18N2OS2/c1-13-5-2-3-11-9(12)8-7-14-6-4-10-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyXFJJMDXZFJTKTL-UHFFFAOYSA-N
MW234.39 g/mol
LogP0.56
Rot. Bonds5

About N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide

N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide (PubChem CID 82917885) has the molecular formula C9H18N2OS2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
PubChem CID82917885
Molecular FormulaC9H18N2OS2
Molecular Weight234.39 g/mol
Exact Mass234.09
IUPAC NameN-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
SMILESCSCCCNC(=O)C1CSCCN1
InChIInChI=1S/C9H18N2OS2/c1-13-5-2-3-11-9(12)8-7-14-6-4-10-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyXFJJMDXZFJTKTL-UHFFFAOYSA-N
XLogP0.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-[2-(trifluoromethylsulfanyl)ethyl]thiomorpholine-3-carboxamide
CID 106428279
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103812003
N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide
CID 106427953
N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide
CID 82908390
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
CID 82917563
N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82908901
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide (CID 82917885) is N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide is CSCCCNC(=O)C1CSCCN1.
What is the InChIKey of N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide?
The InChIKey is XFJJMDXZFJTKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS2/c1-13-5-2-3-11-9(12)8-7-14-6-4-10-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide?
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide has a molecular weight of 234.39 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82917885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).