3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide

C10H19N3O2S — CID 114400114

IUPAC3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
SMILESCCN1CCOC(CNC(=O)CC(N)=S)C1
InChIInChI=1S/C10H19N3O2S/c1-2-13-3-4-15-8(7-13)6-12-10(14)5-9(11)16/h8H,2-7H2,1H3,(H2,11,16)(H,12,14)
InChIKeyOQBJNPFSZSWHCH-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.50
Rot. Bonds5

About 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide (PubChem CID 114400114) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
PubChem CID114400114
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
SMILESCCN1CCOC(CNC(=O)CC(N)=S)C1
InChIInChI=1S/C10H19N3O2S/c1-2-13-3-4-15-8(7-13)6-12-10(14)5-9(11)16/h8H,2-7H2,1H3,(H2,11,16)(H,12,14)
InChIKeyOQBJNPFSZSWHCH-UHFFFAOYSA-N
XLogP-0.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.50
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

N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
CID 114399970
2-(cyclopropylamino)-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 115976412
N-[(4-ethylmorpholin-2-yl)methyl]-2-piperazin-1-ylacetamide
CID 114399910
(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 114399986
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 114399963
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 104921095
2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78960685
N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 104921088
2-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 115976418
2-[(4-ethylmorpholin-2-yl)methylamino]ethyl carbamate
CID 83210717

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide (CID 114400114) is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide is CCN1CCOC(CNC(=O)CC(N)=S)C1.
What is the InChIKey of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide?
The InChIKey is OQBJNPFSZSWHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-2-13-3-4-15-8(7-13)6-12-10(14)5-9(11)16/h8H,2-7H2,1H3,(H2,11,16)(H,12,14).
What are the key properties of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide?
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide has a molecular weight of 245.35 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide is sourced from PubChem (CID 114400114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).