N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide

C14H18N2OS — CID 24695589

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide
SMILESNC(=S)CCN(C(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C14H18N2OS/c15-13(18)9-10-16(12-7-2-1-3-8-12)14(17)11-5-4-6-11/h1-3,7-8,11H,4-6,9-10H2,(H2,15,18)
InChIKeyWYMHVANNZKVNEY-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.50
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide (PubChem CID 24695589) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide
PubChem CID24695589
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide
SMILESNC(=S)CCN(C(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C14H18N2OS/c15-13(18)9-10-16(12-7-2-1-3-8-12)14(17)11-5-4-6-11/h1-3,7-8,11H,4-6,9-10H2,(H2,15,18)
InChIKeyWYMHVANNZKVNEY-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.50
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-phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365927
N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide
CID 114825574
3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 63046094
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 61159722
3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
CID 61160684
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide
CID 82103875
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-phenylpropanamide
CID 62590595
N-(cyanomethyl)-N-phenylcyclohexanecarboxamide
CID 82130138
N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide
CID 24708596
cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide
CID 95568350

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide (CID 24695589) is N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide is NC(=S)CCN(C(=O)C1CCC1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide?
The InChIKey is WYMHVANNZKVNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c15-13(18)9-10-16(12-7-2-1-3-8-12)14(17)11-5-4-6-11/h1-3,7-8,11H,4-6,9-10H2,(H2,15,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide has a molecular weight of 262.38 g/mol, XLogP of 2.50, 5 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-phenylcyclobutanecarboxamide is sourced from PubChem (CID 24695589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).