N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide

C14H26N4O4S — CID 4586516

IUPACN-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide
SMILESO=C(CCSCCC(=O)NN1CCOCC1)NN1CCOCC1
InChIInChI=1S/C14H26N4O4S/c19-13(15-17-3-7-21-8-4-17)1-11-23-12-2-14(20)16-18-5-9-22-10-6-18/h1-12H2,(H,15,19)(H,16,20)
InChIKeyIWHRNFURAOZSGF-UHFFFAOYSA-N
MW346.45 g/mol
LogP-0.77
Rot. Bonds8

About N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide

N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide (PubChem CID 4586516) has the molecular formula C14H26N4O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide
PubChem CID4586516
Molecular FormulaC14H26N4O4S
Molecular Weight346.45 g/mol
Exact Mass346.17
IUPAC NameN-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide
SMILESO=C(CCSCCC(=O)NN1CCOCC1)NN1CCOCC1
InChIInChI=1S/C14H26N4O4S/c19-13(15-17-3-7-21-8-4-17)1-11-23-12-2-14(20)16-18-5-9-22-10-6-18/h1-12H2,(H,15,19)(H,16,20)
InChIKeyIWHRNFURAOZSGF-UHFFFAOYSA-N
XLogP-0.77
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 83024350
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CID 83013202
N-morpholin-4-yl-2-piperidin-4-ylsulfanylacetamide
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N-morpholin-4-yl-2-(propan-2-ylamino)acetamide
CID 83016590
3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-morpholin-4-ylpropanamide
CID 98182258
N-morpholin-4-yloctadec-9-enamide
CID 91252017
N-morpholin-4-yl-2-pyrrolidin-3-ylacetamide
CID 83016127
3-(2-aminophenoxy)-N-morpholin-4-ylpropanamide
CID 83013203
2-(2-methoxyethoxy)-N-morpholin-4-ylacetamide
CID 103606655
N-morpholin-4-ylmorpholine-4-carboxamide
CID 116657345
N-morpholin-4-yl-2-oxoacetamide
CID 18449823

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide?
The IUPAC name of N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide (CID 4586516) is N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide.
What is the SMILES notation for N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide?
The canonical SMILES for N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide is O=C(CCSCCC(=O)NN1CCOCC1)NN1CCOCC1.
What is the InChIKey of N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide?
The InChIKey is IWHRNFURAOZSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4S/c19-13(15-17-3-7-21-8-4-17)1-11-23-12-2-14(20)16-18-5-9-22-10-6-18/h1-12H2,(H,15,19)(H,16,20).
What are the key properties of N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide?
N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide has a molecular weight of 346.45 g/mol, XLogP of -0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide is sourced from PubChem (CID 4586516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).