N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide

C16H22N2OS — CID 3110506

IUPACN-(cycloheptylideneamino)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NN=C1CCCCCC1
InChIInChI=1S/C16H22N2OS/c1-13(20-15-11-7-4-8-12-15)16(19)18-17-14-9-5-2-3-6-10-14/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3,(H,18,19)
InChIKeySCKIWEXVLOLPLV-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.99
Rot. Bonds4

About N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide

N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide (PubChem CID 3110506) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-2-phenylsulfanylpropanamide
PubChem CID3110506
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(cycloheptylideneamino)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NN=C1CCCCCC1
InChIInChI=1S/C16H22N2OS/c1-13(20-15-11-7-4-8-12-15)16(19)18-17-14-9-5-2-3-6-10-14/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3,(H,18,19)
InChIKeySCKIWEXVLOLPLV-UHFFFAOYSA-N
XLogP3.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide (CID 3110506) is N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NN=C1CCCCCC1.
What is the InChIKey of N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide?
The InChIKey is SCKIWEXVLOLPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-13(20-15-11-7-4-8-12-15)16(19)18-17-14-9-5-2-3-6-10-14/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide?
N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide has a molecular weight of 290.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 3110506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).