N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide

C15H20N2OS — CID 54996606

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide
SMILESNC(=S)CCN(C(=O)CCc1ccccc1)C1CC1
InChIInChI=1S/C15H20N2OS/c16-14(19)10-11-17(13-7-8-13)15(18)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,16,19)
InChIKeyDRCFJZXMXNDOIH-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.29
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide (PubChem CID 54996606) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide
PubChem CID54996606
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide
SMILESNC(=S)CCN(C(=O)CCc1ccccc1)C1CC1
InChIInChI=1S/C15H20N2OS/c16-14(19)10-11-17(13-7-8-13)15(18)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,16,19)
InChIKeyDRCFJZXMXNDOIH-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide
CID 54996706
1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea
CID 107653524
2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801
N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide
CID 102873861
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide
CID 54996507
1-(3-amino-3-sulfanylidenepropyl)-1-cyclopropyl-3-phenylurea
CID 54996612
N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 82325252
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62538681
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211884

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide (CID 54996606) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide is NC(=S)CCN(C(=O)CCc1ccccc1)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide?
The InChIKey is DRCFJZXMXNDOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-14(19)10-11-17(13-7-8-13)15(18)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,16,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide has a molecular weight of 276.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide is sourced from PubChem (CID 54996606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).