3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide

C16H26N2O2S2 — CID 97058927

IUPAC3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide
SMILESCCSCCC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1
InChIInChI=1S/C16H26N2O2S2/c1-3-21-10-6-16(19)17-11-14(15-5-4-9-22-15)18-7-8-20-13(2)12-18/h4-5,9,13-14H,3,6-8,10-12H2,1-2H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyCXTBOWWWKVXPCJ-ZIAGYGMSSA-N
MW342.53 g/mol
LogP2.77
Rot. Bonds8

About 3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide

3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide (PubChem CID 97058927) has the molecular formula C16H26N2O2S2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide
PubChem CID97058927
Molecular FormulaC16H26N2O2S2
Molecular Weight342.53 g/mol
Exact Mass342.14
IUPAC Name3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide
SMILESCCSCCC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1
InChIInChI=1S/C16H26N2O2S2/c1-3-21-10-6-16(19)17-11-14(15-5-4-9-22-15)18-7-8-20-13(2)12-18/h4-5,9,13-14H,3,6-8,10-12H2,1-2H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyCXTBOWWWKVXPCJ-ZIAGYGMSSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(2-methylsulfanylethyl)guanidine
CID 111966339
1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111966252
N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 110033391
N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 98774946
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111997263
1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111965941
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111966061
1-(3-ethoxypropyl)-2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111966172
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 109419508
1-butan-2-yl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111722041
2-[[(cyclopentylamino)-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036338
1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine
CID 109497886

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide (CID 97058927) is 3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide is CCSCCC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1.
What is the InChIKey of 3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide?
The InChIKey is CXTBOWWWKVXPCJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26N2O2S2/c1-3-21-10-6-16(19)17-11-14(15-5-4-9-22-15)18-7-8-20-13(2)12-18/h4-5,9,13-14H,3,6-8,10-12H2,1-2H3,(H,17,19)/t13-,14-/m1/s1.
What are the key properties of 3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide?
3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide has a molecular weight of 342.53 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 97058927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).