2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide

C13H25N3O2S — CID 63099380

IUPAC2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide
SMILESCCN(CC(=O)NC1CCOCC1)CC(C)C(N)=S
InChIInChI=1S/C13H25N3O2S/c1-3-16(8-10(2)13(14)19)9-12(17)15-11-4-6-18-7-5-11/h10-11H,3-9H2,1-2H3,(H2,14,19)(H,15,17)
InChIKeyCQTAPEDRQBAQBO-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.53
Rot. Bonds7

About 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide

2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide (PubChem CID 63099380) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide
PubChem CID63099380
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide
SMILESCCN(CC(=O)NC1CCOCC1)CC(C)C(N)=S
InChIInChI=1S/C13H25N3O2S/c1-3-16(8-10(2)13(14)19)9-12(17)15-11-4-6-18-7-5-11/h10-11H,3-9H2,1-2H3,(H2,14,19)(H,15,17)
InChIKeyCQTAPEDRQBAQBO-UHFFFAOYSA-N
XLogP0.53
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N-(oxan-4-yl)acetamide
CID 55181499
2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide
CID 63099178
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide
CID 107494585
ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78925035
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 63341524
2-[2-aminoethyl(ethyl)amino]-N-cyclopropylacetamide
CID 61349324
2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277104
3-amino-N-(oxepan-4-yl)-3-sulfanylidenepropanamide
CID 130608137
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide
CID 113237467
4-hydroxy-N-(oxan-4-yl)pentanamide
CID 79191727
3-(ethylamino)-N-(oxan-4-yl)butanamide
CID 62838798
3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid
CID 62852222

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide (CID 63099380) is 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide is CCN(CC(=O)NC1CCOCC1)CC(C)C(N)=S.
What is the InChIKey of 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is CQTAPEDRQBAQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-3-16(8-10(2)13(14)19)9-12(17)15-11-4-6-18-7-5-11/h10-11H,3-9H2,1-2H3,(H2,14,19)(H,15,17).
What are the key properties of 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide?
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 287.43 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63099380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).