2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide

C16H25N3OS — CID 116652424

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCN(CC(=O)NCCSc1ccccc1)C(CN)C1CC1
InChIInChI=1S/C16H25N3OS/c1-19(15(11-17)13-7-8-13)12-16(20)18-9-10-21-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3,(H,18,20)
InChIKeyHFYGCSZOYHXAGR-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.56
Rot. Bonds9

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 116652424) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide
PubChem CID116652424
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCN(CC(=O)NCCSc1ccccc1)C(CN)C1CC1
InChIInChI=1S/C16H25N3OS/c1-19(15(11-17)13-7-8-13)12-16(20)18-9-10-21-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3,(H,18,20)
InChIKeyHFYGCSZOYHXAGR-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(1-phenylethyl)acetamide
CID 116653073
2-[cyclopropyl-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]amino]acetic acid
CID 60834359
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
CID 116652481
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide
CID 116652513
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide
CID 116653113
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
methyl 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-phenylpropanoate
CID 116653047
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 116652536
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9483076
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide (CID 116652424) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide is CN(CC(=O)NCCSc1ccccc1)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is HFYGCSZOYHXAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-19(15(11-17)13-7-8-13)12-16(20)18-9-10-21-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 307.46 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 116652424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).