N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide

C17H24N2OS — CID 3110511

IUPACN-(cyclooctylideneamino)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NN=C1CCCCCCC1
InChIInChI=1S/C17H24N2OS/c1-14(21-16-12-8-5-9-13-16)17(20)19-18-15-10-6-3-2-4-7-11-15/h5,8-9,12-14H,2-4,6-7,10-11H2,1H3,(H,19,20)
InChIKeyJQCNEBGMKRFZSC-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.38
Rot. Bonds4

About N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide

N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide (PubChem CID 3110511) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-2-phenylsulfanylpropanamide
PubChem CID3110511
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(cyclooctylideneamino)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NN=C1CCCCCCC1
InChIInChI=1S/C17H24N2OS/c1-14(21-16-12-8-5-9-13-16)17(20)19-18-15-10-6-3-2-4-7-11-15/h5,8-9,12-14H,2-4,6-7,10-11H2,1H3,(H,19,20)
InChIKeyJQCNEBGMKRFZSC-UHFFFAOYSA-N
XLogP4.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide
CID 3110489
N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide
CID 3110506
2-Phenylsulfanyl-propionic acid (1,2,2-trimethyl-propylidene)-hydrazide
CID 5954425
3-Methyl-4-phenylsulfanyl-1,4-dihydropyrazol-5-one
CID 14533059
3-(2-Methylpropyl)-4-phenylsulfanyl-1,4-dihydropyrazol-5-one
CID 44245926
4-Phenylsulfanyl-3-propan-2-yl-1,4-dihydropyrazol-5-one
CID 44245927
N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide
CID 4844609
N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide
CID 4848869
2-(2-fluorophenyl)sulfanyl-N-[(4-methylcyclohexylidene)amino]acetamide
CID 8047557
N-(cyclopentylideneamino)-2-(2-fluorophenyl)sulfanylacetamide
CID 8047560
N-(cyclohexylideneamino)-2-(2-fluorophenyl)sulfanylacetamide
CID 8047568
N-(cyclooctylideneamino)-2-(2-fluorophenyl)sulfanylacetamide
CID 8047569

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide (CID 3110511) is N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NN=C1CCCCCCC1.
What is the InChIKey of N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide?
The InChIKey is JQCNEBGMKRFZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-14(21-16-12-8-5-9-13-16)17(20)19-18-15-10-6-3-2-4-7-11-15/h5,8-9,12-14H,2-4,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide?
N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide has a molecular weight of 304.46 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 3110511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).