N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide

C15H20N2OS — CID 54996507

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C15H20N2OS/c1-11-4-2-3-5-12(11)10-15(18)17(13-6-7-13)9-8-14(16)19/h2-5,13H,6-10H2,1H3,(H2,16,19)
InChIKeyKGIKKLAKXWNIIM-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.20
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide (PubChem CID 54996507) 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-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide
PubChem CID54996507
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C15H20N2OS/c1-11-4-2-3-5-12(11)10-15(18)17(13-6-7-13)9-8-14(16)19/h2-5,13H,6-10H2,1H3,(H2,16,19)
InChIKeyKGIKKLAKXWNIIM-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.20
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-2-(2,5-dimethylphenyl)acetamide
CID 62538681
N-cyclopentyl-N-(2-hydroxyethyl)-2-(2-methylphenyl)acetamide
CID 54994021
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide
CID 54996606
N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 80659112
N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716174
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide
CID 54996464
2-[cyclopentyl-[2-(2-methylphenyl)acetyl]amino]acetic acid
CID 60827106
1-(3-amino-3-sulfanylidenepropyl)-1-cyclopropyl-3-phenylurea
CID 54996612
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
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropyl-4-methylbenzamide
CID 81472167
N-(3-amino-3-sulfanylidenepropyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80741547

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide (CID 54996507) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N(CCC(N)=S)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide?
The InChIKey is KGIKKLAKXWNIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-4-2-3-5-12(11)10-15(18)17(13-6-7-13)9-8-14(16)19/h2-5,13H,6-10H2,1H3,(H2,16,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 2.20, 6 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-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 54996507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).