4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide

C12H23N3O2S — CID 83099476

IUPAC4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CCCCC(N)=S
InChIInChI=1S/C12H23N3O2S/c1-2-14-12(16)10-9-17-8-7-15(10)6-4-3-5-11(13)18/h10H,2-9H2,1H3,(H2,13,18)(H,14,16)
InChIKeyRMXHIEGJIAJSHS-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.28
Rot. Bonds7

About 4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide

4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83099476) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83099476
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CCCCC(N)=S
InChIInChI=1S/C12H23N3O2S/c1-2-14-12(16)10-9-17-8-7-15(10)6-4-3-5-11(13)18/h10H,2-9H2,1H3,(H2,13,18)(H,14,16)
InChIKeyRMXHIEGJIAJSHS-UHFFFAOYSA-N
XLogP0.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(ethylcarbamoyl)morpholin-4-yl]hexanoic acid
CID 83100363
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
N-ethyl-4-(3-hydrazinyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104053
hydrazinyl 3-[3-(ethylcarbamoyl)morpholin-4-yl]propanoate
CID 83105070
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83102944
4-hexylmorpholine-3-carboxamide
CID 174697838
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate
CID 83100533
4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83106373
N-ethyl-4-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104052
4-(2-carbamothioylbutanoyl)-N-ethylmorpholine-3-carboxamide
CID 83097501

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide (CID 83099476) is 4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1CCCCC(N)=S.
What is the InChIKey of 4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is RMXHIEGJIAJSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-2-14-12(16)10-9-17-8-7-15(10)6-4-3-5-11(13)18/h10H,2-9H2,1H3,(H2,13,18)(H,14,16).
What are the key properties of 4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide?
4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83099476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).