4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide

C8H13N3O3S — CID 83101281

IUPAC4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)CC(N)=S
InChIInChI=1S/C8H13N3O3S/c9-6(15)3-7(12)11-1-2-14-4-5(11)8(10)13/h5H,1-4H2,(H2,9,15)(H2,10,13)
InChIKeyIQYPEPLQQDGLRX-UHFFFAOYSA-N
MW231.28 g/mol
LogP-1.62
Rot. Bonds3

About 4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide

4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide (PubChem CID 83101281) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
PubChem CID83101281
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)CC(N)=S
InChIInChI=1S/C8H13N3O3S/c9-6(15)3-7(12)11-1-2-14-4-5(11)8(10)13/h5H,1-4H2,(H2,9,15)(H2,10,13)
InChIKeyIQYPEPLQQDGLRX-UHFFFAOYSA-N
XLogP-1.62
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
4-(4-aminopentanoyl)morpholine-3-carboxamide
CID 83100902
4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide
CID 83094374
4-[3-(aminomethyl)pentanoyl]morpholine-3-carboxamide
CID 83102085
4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide
CID 83101865
4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide
CID 104678604
4-(3-piperidin-4-ylpropanoyl)morpholine-3-carboxamide
CID 83102635
4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide
CID 83102641
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide (CID 83101281) is 4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide is NC(=O)C1COCCN1C(=O)CC(N)=S.
What is the InChIKey of 4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide?
The InChIKey is IQYPEPLQQDGLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c9-6(15)3-7(12)11-1-2-14-4-5(11)8(10)13/h5H,1-4H2,(H2,9,15)(H2,10,13).
What are the key properties of 4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide?
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide has a molecular weight of 231.28 g/mol, XLogP of -1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83101281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).