3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide

C15H23N3OS — CID 62641519

IUPAC3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide
SMILESCCN(C)CCNC(=O)C(Cc1ccccc1)C(N)=S
InChIInChI=1S/C15H23N3OS/c1-3-18(2)10-9-17-15(19)13(14(16)20)11-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyPKKPFLDYGBHPKI-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.20
Rot. Bonds8

About 3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide

3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide (PubChem CID 62641519) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide
PubChem CID62641519
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide
SMILESCCN(C)CCNC(=O)C(Cc1ccccc1)C(N)=S
InChIInChI=1S/C15H23N3OS/c1-3-18(2)10-9-17-15(19)13(14(16)20)11-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyPKKPFLDYGBHPKI-UHFFFAOYSA-N
XLogP1.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide 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-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide
CID 62641517
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-benzyl-3-sulfanylidenepropanamide
CID 106237116
3-amino-2-benzyl-N-(2,2-difluoroethyl)-3-sulfanylidenepropanamide
CID 113303782
3-amino-2-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-sulfanylidenepropanamide
CID 62524742
3-amino-2-benzyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylidenepropanamide
CID 106915544
3-amino-2-benzyl-N-(4-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 63327676
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
CID 24696027
2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 63613701
(2R)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide
CID 78919866
3-amino-2-benzyl-N-methyl-N-(2-propan-2-yloxyethyl)-3-sulfanylidenepropanamide
CID 81035795
3-amino-2-benzyl-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79042897
2-(2-carbamothioylphenoxy)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 62640625

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide (CID 62641519) is 3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide is CCN(C)CCNC(=O)C(Cc1ccccc1)C(N)=S.
What is the InChIKey of 3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide?
The InChIKey is PKKPFLDYGBHPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-18(2)10-9-17-15(19)13(14(16)20)11-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of 3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide?
3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide has a molecular weight of 293.44 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide is sourced from PubChem (CID 62641519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).